6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C17H20N6O — CID 137271991

IUPAC6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2CCN(Cc3ccccc3)CC2)nc2[nH]ncc12
InChIInChI=1S/C17H20N6O/c24-16-14-10-18-22-15(14)20-17(21-16)19-13-6-8-23(9-7-13)11-12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H3,18,19,20,21,22,24)
InChIKeySBZMLAWOXWGVMG-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.72
Rot. Bonds4

About 6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137271991) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137271991
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2CCN(Cc3ccccc3)CC2)nc2[nH]ncc12
InChIInChI=1S/C17H20N6O/c24-16-14-10-18-22-15(14)20-17(21-16)19-13-6-8-23(9-7-13)11-12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H3,18,19,20,21,22,24)
InChIKeySBZMLAWOXWGVMG-UHFFFAOYSA-N
XLogP1.72
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[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

2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135719651
6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136783626
1-benzyl-N-(1H-pyrazol-4-yl)piperidin-4-amine
CID 43540095
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207408
N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919
2-[[1-(2-methylsulfonylethyl)piperidin-4-yl]amino]-3H-quinazolin-4-one
CID 137268392
(3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115278
3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one
CID 119136081
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine
CID 18447335
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 67906630
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-5-amine
CID 14467953
1-benzyl-N-methylpiperidin-4-amine
CID 4136128

Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 137271991) is 6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(NC2CCN(Cc3ccccc3)CC2)nc2[nH]ncc12.
What is the InChIKey of 6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SBZMLAWOXWGVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c24-16-14-10-18-22-15(14)20-17(21-16)19-13-6-8-23(9-7-13)11-12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H3,18,19,20,21,22,24).
What are the key properties of 6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 324.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137271991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).