[(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone

C21H22N4O2 — CID 154848010

IUPAC[(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone
SMILESCO[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)n(-c3ccccc3)n2)C1
InChIInChI=1S/C21H22N4O2/c1-27-18-10-6-12-24(15-18)21(26)19-13-20(16-7-5-11-22-14-16)25(23-19)17-8-3-2-4-9-17/h2-5,7-9,11,13-14,18H,6,10,12,15H2,1H3/t18-/m0/s1
InChIKeyRHLFSHMCESFIMX-SFHVURJKSA-N
MW362.43 g/mol
LogP3.19
Rot. Bonds4

About [(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone

[(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone (PubChem CID 154848010) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone
PubChem CID154848010
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone
SMILESCO[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)n(-c3ccccc3)n2)C1
InChIInChI=1S/C21H22N4O2/c1-27-18-10-6-12-24(15-18)21(26)19-13-20(16-7-5-11-22-14-16)25(23-19)17-8-3-2-4-9-17/h2-5,7-9,11,13-14,18H,6,10,12,15H2,1H3/t18-/m0/s1
InChIKeyRHLFSHMCESFIMX-SFHVURJKSA-N
XLogP3.19
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid
CID 119181333
[3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 56560638
(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride
CID 119378655
1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid
CID 82220360
[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46323923
[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 53067825
[4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone
CID 53006257
[5-(5-isocyano-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone
CID 59684400
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone
CID 23090606
N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067674
[(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone
CID 42147776
(1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 118215004

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone?
The IUPAC name of [(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone (CID 154848010) is [(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone is CO[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)n(-c3ccccc3)n2)C1.
What is the InChIKey of [(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone?
The InChIKey is RHLFSHMCESFIMX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-18-10-6-12-24(15-18)21(26)19-13-20(16-7-5-11-22-14-16)25(23-19)17-8-3-2-4-9-17/h2-5,7-9,11,13-14,18H,6,10,12,15H2,1H3/t18-/m0/s1.
What are the key properties of [(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone?
[(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 154848010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).