1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile

Name: 1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile
SKU: PI256376655
Rating: 5 (1 reviews)

Cat. No.: PI256376655

Product Details Other Identifiers Computed Properties

CAS	256376-65-5
Purity	95%
Molecular Formula	C14H9FN4
Molecular Weight	252.25
Molar Refractivity	67.95

Pubchem ID	11402500
InChI Key	CSUUGTRFBZTTQW-UHFFFAOYSA-N
MDL Number	MFCD20268231

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	2
Topological Polar Surface Area	54.5 Å²
Heavy Atom Count	19
Aromatic Heavy Atoms Number	15
Fraction Csp3	0.07
Log Po/w (iLOGP)	2.31
Log Po/w (XLOGP3)	2.58
Log Po/w (WLOGP)	2.91
Log Po/w (MLOGP)	2.21
Log Po/w (SILICOS-IT)	2.7
Consensus Log Po/w	2.54
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.01 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	2.26

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