5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C23H23N5O2 — CID 134347315

IUPAC5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1cc[nH]c(=O)c1
InChIInChI=1S/C23H23N5O2/c1-15-19(17-10-11-24-18(29)14-17)23(30)28-22(25-15)21(27-12-6-3-7-13-27)20(26-28)16-8-4-2-5-9-16/h2,4-5,8-11,14,26H,3,6-7,12-13H2,1H3,(H,24,29)
InChIKeyBNGKGAUCJJMJRT-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.34
Rot. Bonds3

About 5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134347315) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134347315
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1cc[nH]c(=O)c1
InChIInChI=1S/C23H23N5O2/c1-15-19(17-10-11-24-18(29)14-17)23(30)28-22(25-15)21(27-12-6-3-7-13-27)20(26-28)16-8-4-2-5-9-16/h2,4-5,8-11,14,26H,3,6-7,12-13H2,1H3,(H,24,29)
InChIKeyBNGKGAUCJJMJRT-UHFFFAOYSA-N
XLogP3.34
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

6-benzyl-2-(tert-butyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
CID 2813282
6-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
CID 2813279
2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 56597967
7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454806
5-methyl-2-phenyl-3-(piperidin-1-yl)-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307466
5-Methyl-2,6-diphenyl-3-(1-piperidinyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 134315422
7-Hydroxy-n-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16734067
ethyl 4-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 5308620
N-benzyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
CID 16012064
6-benzyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
CID 2813280
4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)benzamide
CID 134307557
5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307754

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134347315) is 5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1cc[nH]c(=O)c1.
What is the InChIKey of 5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BNGKGAUCJJMJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15-19(17-10-11-24-18(29)14-17)23(30)28-22(25-15)21(27-12-6-3-7-13-27)20(26-28)16-8-4-2-5-9-16/h2,4-5,8-11,14,26H,3,6-7,12-13H2,1H3,(H,24,29).
What are the key properties of 5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 401.47 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134347315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).