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

Cat. No.: PI1016636762

Product Details Other Identifiers Computed Properties

CAS	1016636-76-2
Purity	98%
Molecular Formula	C13H13BrClN3O
Molecular Weight	342.62
Molar Refractivity	79.85

Pubchem ID	44248249
InChI Key	HJQCAEDIUJXGCQ-UHFFFAOYSA-N
MDL Number	MFCD13181208

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	19
Aromatic Heavy Atoms Number	10
Fraction Csp3	0.46
Log Po/w (iLOGP)	3.1
Log Po/w (XLOGP3)	3.18
Log Po/w (WLOGP)	3.63
Log Po/w (MLOGP)	3.33
Log Po/w (SILICOS-IT)	3.64
Consensus Log Po/w	3.38
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.13 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	2.3

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