2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide

C17H19N7O — CID 86778865

IUPAC2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cnn(-c2ccccn2)c1)N1CCCCC1c1ncc[nH]1
InChIInChI=1S/C17H19N7O/c25-17(23-10-4-2-5-14(23)16-19-8-9-20-16)22-13-11-21-24(12-13)15-6-1-3-7-18-15/h1,3,6-9,11-12,14H,2,4-5,10H2,(H,19,20)(H,22,25)
InChIKeyATVYNBNDOYNUNO-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.75
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide

2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 86778865) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide
PubChem CID86778865
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cnn(-c2ccccn2)c1)N1CCCCC1c1ncc[nH]1
InChIInChI=1S/C17H19N7O/c25-17(23-10-4-2-5-14(23)16-19-8-9-20-16)22-13-11-21-24(12-13)15-6-1-3-7-18-15/h1,3,6-9,11-12,14H,2,4-5,10H2,(H,19,20)(H,22,25)
InChIKeyATVYNBNDOYNUNO-UHFFFAOYSA-N
XLogP2.75
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of 2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide (CID 86778865) is 2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide is O=C(Nc1cnn(-c2ccccn2)c1)N1CCCCC1c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is ATVYNBNDOYNUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c25-17(23-10-4-2-5-14(23)16-19-8-9-20-16)22-13-11-21-24(12-13)15-6-1-3-7-18-15/h1,3,6-9,11-12,14H,2,4-5,10H2,(H,19,20)(H,22,25).
What are the key properties of 2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide?
2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 86778865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).