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6-(1H-Indazol-6-yl)-N-(4-morpholinophenyl)imidazo[1,2-a]pyrazin-8-amine

6-(1H-Indazol-6-yl)-N-(4-morpholinophenyl)imidazo[1,2-a]pyrazin-8-amine

CAS No. :1229208-44-9MDL No. :MFCD28099806Formula :C23H21N7OBoiling Point :-Linear Structure Formula :-InChI Key :XSMSNF

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CAS No. :1229208-44-9 Brand :Qitai
Formula :C23H21N7O M.W :411.46

Introduction

CAS No. :1229208-44-9 MDL No. :MFCD28099806
Formula : C23H21N7O Boiling Point : -
Linear Structure Formula :- InChI Key :XSMSNFMDVXXHGJ-UHFFFAOYSA-N
M.W : 411.46 Pubchem ID :59473233
Synonyms :
GS-9973
Chemical Name :6-(1H-Indazol-6-yl)-N-(4-morpholinophenyl)imidazo[1,2-a]pyrazin-8-amine

Physicochemical Properties

Num. heavy atoms : 31
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.17
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 123.35
TPSA : 83.37 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.25 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.68
Log Po/w (XLOGP3) : 3.61
Log Po/w (WLOGP) : 3.47
Log Po/w (MLOGP) : 1.61
Log Po/w (SILICOS-IT) : 2.41
Consensus Log Po/w : 2.76

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.97
Solubility : 0.00437 mg/ml ; 0.0000106 mol/l
Class : Moderately soluble
Log S (Ali) : -5.05
Solubility : 0.00368 mg/ml ; 0.00000895 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -7.41
Solubility : 0.000016 mg/ml ; 0.0000000389 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.4
Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram: