[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone

C21H20N6O — CID 124874532

IUPAC[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)n[nH]1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C21H20N6O/c28-21(18-13-17(25-26-18)14-8-10-22-11-9-14)27-12-4-3-7-19(27)20-23-15-5-1-2-6-16(15)24-20/h1-2,5-6,8-11,13,19H,3-4,7,12H2,(H,23,24)(H,25,26)/t19-/m1/s1
InChIKeyBGTXAWLEDNGHEK-LJQANCHMSA-N
MW372.43 g/mol
LogP3.72
Rot. Bonds3

About [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone

[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone (PubChem CID 124874532) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
PubChem CID124874532
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)n[nH]1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C21H20N6O/c28-21(18-13-17(25-26-18)14-8-10-22-11-9-14)27-12-4-3-7-19(27)20-23-15-5-1-2-6-16(15)24-20/h1-2,5-6,8-11,13,19H,3-4,7,12H2,(H,23,24)(H,25,26)/t19-/m1/s1
InChIKeyBGTXAWLEDNGHEK-LJQANCHMSA-N
XLogP3.72
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 70780089
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CID 43841790
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CID 25346217
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[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
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[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
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[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone
CID 126425803
[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 97138367
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone (CID 124874532) is [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccncc2)n[nH]1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is BGTXAWLEDNGHEK-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20N6O/c28-21(18-13-17(25-26-18)14-8-10-22-11-9-14)27-12-4-3-7-19(27)20-23-15-5-1-2-6-16(15)24-20/h1-2,5-6,8-11,13,19H,3-4,7,12H2,(H,23,24)(H,25,26)/t19-/m1/s1.
What are the key properties of [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 372.43 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 124874532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).