4-imidazol-1-yl-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-3-one

C15H17N7O — CID 59603655

IUPAC4-imidazol-1-yl-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-3-one
SMILESO=c1c(-n2ccnc2)c[nH]n1-c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C15H17N7O/c23-15-12(21-7-4-16-11-21)9-19-22(15)14-8-13(17-10-18-14)20-5-2-1-3-6-20/h4,7-11,19H,1-3,5-6H2
InChIKeyUECBGPSHIWJXPJ-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.13
Rot. Bonds3

About 4-imidazol-1-yl-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-3-one

4-imidazol-1-yl-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-3-one (PubChem CID 59603655) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-imidazol-1-yl-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-3-one
PubChem CID59603655
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name4-imidazol-1-yl-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-3-one
SMILESO=c1c(-n2ccnc2)c[nH]n1-c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C15H17N7O/c23-15-12(21-7-4-16-11-21)9-19-22(15)14-8-13(17-10-18-14)20-5-2-1-3-6-20/h4,7-11,19H,1-3,5-6H2
InChIKeyUECBGPSHIWJXPJ-UHFFFAOYSA-N
XLogP1.13
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Molidustat
CID 59603622
2-[6-(4-Cyclobutylpiperazin-1-yl)pyrimidin-4-yl]-4-(1H-1,2,3-triazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one
CID 44464370
2-[6-[3-(dimethylamino)azetidin-1-yl]pyrimidin-4-yl]-4-(triazol-1-yl)-1H-pyrazol-3-one
CID 44464614
1-{2-[6-(3,3-Difluoroazetidin-1-yl)pyrimidin-4-yl]-3-oxo-2,3-dihydro-1H-pyrazol-4-yl}-1H-imidazole-4-carbonitrile
CID 57925067
1-{6-[4-(1H-Imidazol-1-yl)-5-oxo-2,5-dihydro-1H-pyrazol-1-yl]pyrimidin-4-yl}azetidine-3-carboxylic acid
CID 57925071
2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(triazol-1-yl)-1H-pyrazol-3-one
CID 59603564
2-(6-thiomorpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one
CID 59603566
4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one
CID 59603639
2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one
CID 59603543
2-[6-(4,4-Difluoropiperidin-1-yl)pyrimidin-4-yl]-4-(1H-imidazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one
CID 44464864
2-[6-(4,4-Difluoropiperidin-1-yl)pyrimidin-4-yl]-4-(1H-1,2,3-triazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one
CID 44464865
1-{2-[6-(4,4-Difluoropiperidin-1-yl)pyrimidin-4-yl]-3-oxo-2,3-dihydro-1H-pyrazol-4-yl}-1H-imidazole-4-carbonitrile
CID 44464866

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-3-one?
The IUPAC name of 4-imidazol-1-yl-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-3-one (CID 59603655) is 4-imidazol-1-yl-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-imidazol-1-yl-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-3-one?
The canonical SMILES for 4-imidazol-1-yl-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-3-one is O=c1c(-n2ccnc2)c[nH]n1-c1cc(N2CCCCC2)ncn1.
What is the InChIKey of 4-imidazol-1-yl-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-3-one?
The InChIKey is UECBGPSHIWJXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c23-15-12(21-7-4-16-11-21)9-19-22(15)14-8-13(17-10-18-14)20-5-2-1-3-6-20/h4,7-11,19H,1-3,5-6H2.
What are the key properties of 4-imidazol-1-yl-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-3-one?
4-imidazol-1-yl-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-3-one has a molecular weight of 311.35 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 59603655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).