2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

C20H26N6O2 — CID 20929005

IUPAC2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N6O2/c1-16-15-18-25(20(28)7-10-26(18)22-16)9-4-6-19(27)24-13-11-23(12-14-24)17-5-2-3-8-21-17/h2-3,5,8,15H,4,6-7,9-14H2,1H3
InChIKeyQBVOYJHHPBLSPH-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.45
Rot. Bonds5

About 2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 20929005) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
PubChem CID20929005
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N6O2/c1-16-15-18-25(20(28)7-10-26(18)22-16)9-4-6-19(27)24-13-11-23(12-14-24)17-5-2-3-8-21-17/h2-3,5,8,15H,4,6-7,9-14H2,1H3
InChIKeyQBVOYJHHPBLSPH-UHFFFAOYSA-N
XLogP1.45
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-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

4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N-(3-methylbutyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928939
2-[6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-6-oxohexyl]isoindole-1,3-dione
CID 108755320
1-(4-pyridin-2-ylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 47016242
2-[4-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 122343491
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 92543665
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7974830
5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 22522590
2-[4-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 110422399
1-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 46282453
3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 17460018

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 20929005) is 2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is Cc1cc2n(n1)CCC(=O)N2CCCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is QBVOYJHHPBLSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-16-15-18-25(20(28)7-10-26(18)22-16)9-4-6-19(27)24-13-11-23(12-14-24)17-5-2-3-8-21-17/h2-3,5,8,15H,4,6-7,9-14H2,1H3.
What are the key properties of 2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 382.47 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 20929005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).