2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C26H27N5O2 — CID 158782475

IUPAC2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H27N5O2/c1-18-22(17-23(32)30-15-13-29(14-16-30)21-11-7-4-8-12-21)26(33)31-25(27-18)24(19(2)28-31)20-9-5-3-6-10-20/h3-12,28H,13-17H2,1-2H3
InChIKeySMVUYGCIKQDFER-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.20
Rot. Bonds4

About 2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 158782475) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID158782475
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H27N5O2/c1-18-22(17-23(32)30-15-13-29(14-16-30)21-11-7-4-8-12-21)26(33)31-25(27-18)24(19(2)28-31)20-9-5-3-6-10-20/h3-12,28H,13-17H2,1-2H3
InChIKeySMVUYGCIKQDFER-UHFFFAOYSA-N
XLogP3.20
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-3-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 4897063
2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 138472633
2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 31853042
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone
CID 112762995
2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-phenylacetamide
CID 138557558
N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide
CID 86981009
3-(4-bromophenyl)-6-(2-hydroxyethyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17147858
2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide
CID 138557396
11-methyl-10-phenyl-5-(pyridine-4-carbonyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 98074930
2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 45496297
5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid
CID 158780230
6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17027570

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 158782475) is 2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SMVUYGCIKQDFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18-22(17-23(32)30-15-13-29(14-16-30)21-11-7-4-8-12-21)26(33)31-25(27-18)24(19(2)28-31)20-9-5-3-6-10-20/h3-12,28H,13-17H2,1-2H3.
What are the key properties of 2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 441.54 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 158782475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).