N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide

C23H22N8O2 — CID 171706065

IUPACN-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(C2CCCCN2C(=O)c2ncn(-c3ccccc3)n2)[nH]n1)c1ccncc1
InChIInChI=1S/C23H22N8O2/c32-22(16-9-11-24-12-10-16)26-20-14-18(27-28-20)19-8-4-5-13-30(19)23(33)21-25-15-31(29-21)17-6-2-1-3-7-17/h1-3,6-7,9-12,14-15,19H,4-5,8,13H2,(H2,26,27,28,32)
InChIKeyUXNSUCFYVZRVAR-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.01
Rot. Bonds5

About N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide

N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide (PubChem CID 171706065) has the molecular formula C23H22N8O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide
PubChem CID171706065
Molecular FormulaC23H22N8O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC NameN-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(C2CCCCN2C(=O)c2ncn(-c3ccccc3)n2)[nH]n1)c1ccncc1
InChIInChI=1S/C23H22N8O2/c32-22(16-9-11-24-12-10-16)26-20-14-18(27-28-20)19-8-4-5-13-30(19)23(33)21-25-15-31(29-21)17-6-2-1-3-7-17/h1-3,6-7,9-12,14-15,19H,4-5,8,13H2,(H2,26,27,28,32)
InChIKeyUXNSUCFYVZRVAR-UHFFFAOYSA-N
XLogP3.01
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide
CID 171706114
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide
CID 171706048
N-cyclopentyl-5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268878
N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124985015
cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 95838089
N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880791
(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 123681411
[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 95842777
cis-(1R,3S)-3-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677931
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
CID 71943773
N-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide
CID 171705710
(2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97347741

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide (CID 171706065) is N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide is O=C(Nc1cc(C2CCCCN2C(=O)c2ncn(-c3ccccc3)n2)[nH]n1)c1ccncc1.
What is the InChIKey of N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide?
The InChIKey is UXNSUCFYVZRVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2/c32-22(16-9-11-24-12-10-16)26-20-14-18(27-28-20)19-8-4-5-13-30(19)23(33)21-25-15-31(29-21)17-6-2-1-3-7-17/h1-3,6-7,9-12,14-15,19H,4-5,8,13H2,(H2,26,27,28,32).
What are the key properties of N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide?
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 171706065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).