Name: N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide

SMILES: CC1=NN2C(=C1)N=C(C=C2Cl)NC(=O)C3=CC=C(C=C3)C(C)(C)O

Molecular Processing

Molecular formula

C17H17ClN4O2

Molecular weight

344.8

Exact mass

344.104

XLogP

3.17

TPSA

79.52

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.235

Molar refractivity

92.37

Supplementary Information

InChIKey: XWAPNLVFPQGGQU-UHFFFAOYSA-N

Synonyme

SCHEMBL1017496XWAPNLVFPQGGQU-UHFFFAOYSA-NN-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide