Название: 3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydrochloride

SMILES: CC1=NN(C2=C1C(=O)NC(=N2)C3CCNCC3)C4=CC=CC=C4.Cl

Molecular Processing

Molecular formula

C17H20ClN5O

Molecular weight

345.83

Exact mass

345.1356

XLogP

2.31

TPSA

75.6

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

0.353

Molar refractivity

96.32

Supplementary Information

InChIKey: OBSGJRHKIKTSJR-UHFFFAOYSA-N

Синонимы

SCHEMBL2547234SCHEMBL2547321OBSGJRHKIKTSJR-UHFFFAOYSA-N3-methyl-1-phenyl-6-(piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one hydrochloride