(2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone

C17H18N6O — CID 95281721

IUPAC(2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H](n2cccn2)C1
InChIInChI=1S/C17H18N6O/c24-17(14-4-6-19-16(11-14)22-10-7-18-13-22)21-8-1-3-15(12-21)23-9-2-5-20-23/h2,4-7,9-11,13,15H,1,3,8,12H2/t15-/m0/s1
InChIKeyIBDAZJYIGGHLDG-HNNXBMFYSA-N
MW322.37 g/mol
LogP1.94
Rot. Bonds3

About (2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone

(2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95281721) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is (2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
PubChem CID95281721
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name(2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H](n2cccn2)C1
InChIInChI=1S/C17H18N6O/c24-17(14-4-6-19-16(11-14)22-10-7-18-13-22)21-8-1-3-15(12-21)23-9-2-5-20-23/h2,4-7,9-11,13,15H,1,3,8,12H2/t15-/m0/s1
InChIKeyIBDAZJYIGGHLDG-HNNXBMFYSA-N
XLogP1.94
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95282730
(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158283
5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95282709
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95272362
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
CID 95383030
(2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94616496
(2-imidazol-1-yl-4-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 51092101
(5-bromothiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158101
(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 136566028
(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158589
(5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95281714

Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of (2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone (CID 95281721) is (2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for (2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone is O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H](n2cccn2)C1.
What is the InChIKey of (2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is IBDAZJYIGGHLDG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-17(14-4-6-19-16(11-14)22-10-7-18-13-22)21-8-1-3-15(12-21)23-9-2-5-20-23/h2,4-7,9-11,13,15H,1,3,8,12H2/t15-/m0/s1.
What are the key properties of (2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
(2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 322.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95281721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).