2-Chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one

Cat. No.: PI1013916374

Product Details Other Identifiers Computed Properties

CAS	1013916-37-4
Purity	97%
Molecular Formula	C13H14ClN3O
Molecular Weight	263.72
Molar Refractivity	72.15

Pubchem ID	44248248
InChI Key	BSKNQSYIDZUXQT-UHFFFAOYSA-N
MDL Number	MFCD13181207

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	1
Topological Polar Surface Area	47.78 Å²
Heavy Atom Count	18
Aromatic Heavy Atoms Number	10
Fraction Csp3	0.46
Log Po/w (iLOGP)	2.89
Log Po/w (XLOGP3)	2.28
Log Po/w (WLOGP)	2.87
Log Po/w (MLOGP)	2.68
Log Po/w (SILICOS-IT)	2.98
Consensus Log Po/w	2.74
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.29 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.16

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