Nom: 2-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-4-yl]acetonitrile

SMILES: C1CNCCC1(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

Molecular Processing

Molecular formula

C16H17N7

Molecular weight

307.36

Exact mass

307.1545

XLogP

1.81

TPSA

95.21

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

0.375

Molar refractivity

85.42

Supplementary Information

InChIKey: NVEOPWFKDOYPAN-UHFFFAOYSA-N

Synonymes

SCHEMBL102406NVEOPWFKDOYPAN-UHFFFAOYSA-N4-[4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]piperidin-4-ylacetonitrile