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

C17H19N5O — CID 135985432

IUPAC3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nn(-c2ccccc2)c2nc(C3CCNCC3)[nH]c(=O)c12
InChIInChI=1S/C17H19N5O/c1-11-14-16(22(21-11)13-5-3-2-4-6-13)19-15(20-17(14)23)12-7-9-18-10-8-12/h2-6,12,18H,7-10H2,1H3,(H,19,20,23)
InChIKeyJWKYRSMUOWJYTD-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.88
Rot. Bonds2

About 3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135985432) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135985432
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nn(-c2ccccc2)c2nc(C3CCNCC3)[nH]c(=O)c12
InChIInChI=1S/C17H19N5O/c1-11-14-16(22(21-11)13-5-3-2-4-6-13)19-15(20-17(14)23)12-7-9-18-10-8-12/h2-6,12,18H,7-10H2,1H3,(H,19,20,23)
InChIKeyJWKYRSMUOWJYTD-UHFFFAOYSA-N
XLogP1.88
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
2H-Pyrazolo(4,3-c)pyridine-4,6-diol, 3-amino-2-phenyl-
CID 135419024
1,7-Dihydro-3,6-dimethyl-1-phenyl-4H-pyrazolo[3,4-b]pyridin-4-one
CID 135403969
6-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135401776
US9763922, Example 44
CID 121372691
3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide
CID 121373033
2,7,7-trimethyl-N-[3-(4-methylphenyl)pentan-3-yl]-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 136030615
(5S)-2,7,7-trimethyl-N-[3-(4-methylphenyl)pentan-3-yl]-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 136141564
(5R)-N-[3-(4-ethylphenyl)pentan-3-yl]-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 136188837
(5R)-2,7,7-trimethyl-N-[3-(4-methylphenyl)pentan-3-yl]-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 136192901
3,6-dimethyl-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 137106566
Pyrazolo[4,3-c]pyridine-4,6(5H,7H)-dione, 3-amino-2-phenyl-
CID 555805

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135985432) is 3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nn(-c2ccccc2)c2nc(C3CCNCC3)[nH]c(=O)c12.
What is the InChIKey of 3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JWKYRSMUOWJYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-14-16(22(21-11)13-5-3-2-4-6-13)19-15(20-17(14)23)12-7-9-18-10-8-12/h2-6,12,18H,7-10H2,1H3,(H,19,20,23).
What are the key properties of 3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 309.37 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-6-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135985432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).