1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide

C27H34N6O2 — CID 42419051

IUPAC1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide
SMILESCOc1cccc(-c2ccnc(-n3ncc(C(=O)NCC4(N5CCCCC5)CCCC4)c3C)n2)c1
InChIInChI=1S/C27H34N6O2/c1-20-23(25(34)29-19-27(12-4-5-13-27)32-15-6-3-7-16-32)18-30-33(20)26-28-14-11-24(31-26)21-9-8-10-22(17-21)35-2/h8-11,14,17-18H,3-7,12-13,15-16,19H2,1-2H3,(H,29,34)
InChIKeyNQJUIGRLEXHATR-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.17
Rot. Bonds7

About 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide

1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide (PubChem CID 42419051) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide
PubChem CID42419051
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC Name1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide
SMILESCOc1cccc(-c2ccnc(-n3ncc(C(=O)NCC4(N5CCCCC5)CCCC4)c3C)n2)c1
InChIInChI=1S/C27H34N6O2/c1-20-23(25(34)29-19-27(12-4-5-13-27)32-15-6-3-7-16-32)18-30-33(20)26-28-14-11-24(31-26)21-9-8-10-22(17-21)35-2/h8-11,14,17-18H,3-7,12-13,15-16,19H2,1-2H3,(H,29,34)
InChIKeyNQJUIGRLEXHATR-UHFFFAOYSA-N
XLogP4.17
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(azetidine-1-carbonyl)-N-[2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378844
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
4-(azetidine-1-carbonyl)-N-[2-[4-(3-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288529
4-(azetidine-1-carbonyl)-N-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288530
N-[1-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 135394452
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378494
4-N-(2-fluoroethyl)-5-N-[(7R)-2-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414990
N-(3-methoxyphenethyl)-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136081197
7-(difluoromethyl)-N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2168938
US11180484, Reference Example K
CID 132203422
US11180484, Example 86
CID 139301811

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide (CID 42419051) is 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide is COc1cccc(-c2ccnc(-n3ncc(C(=O)NCC4(N5CCCCC5)CCCC4)c3C)n2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide?
The InChIKey is NQJUIGRLEXHATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-20-23(25(34)29-19-27(12-4-5-13-27)32-15-6-3-7-16-32)18-30-33(20)26-28-14-11-24(31-26)21-9-8-10-22(17-21)35-2/h8-11,14,17-18H,3-7,12-13,15-16,19H2,1-2H3,(H,29,34).
What are the key properties of 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide?
1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 42419051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).