Infigratinib

Cat. No.: PI872511347

Product Details Other Identifiers Computed Properties

CAS	872511-34-7
Synonyms	3-(2,6-Dichloro-3,5-dimethoxyphenyl)-1-(6-((4-(4-ethylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)-1-methylurea
Purity	min. 99%
Molecular Formula	C26H31Cl2N7O3
Molecular Weight	560.48
Molar Refractivity	159.27

Pubchem ID	53235510
InChI Key	QADPYRIHXKWUSV-UHFFFAOYSA-N
MDL Number	MFCD22123241

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	10
Topological Polar Surface Area	95.09 Å²
Heavy Atom Count	38
Aromatic Heavy Atoms Number	18
Fraction Csp3	0.35
Log Po/w (iLOGP)	3.86
Log Po/w (XLOGP3)	4.66
Log Po/w (WLOGP)	4.4
Log Po/w (MLOGP)	3.18
Log Po/w (SILICOS-IT)	2.8
Consensus Log Po/w	3.78
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.41 cm/s
Lipinski	1.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	1.0 alert
Brenk	0.0 alert
Leadlikeness	3.0
Synthetic Accessibility	4.16

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