[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone

C21H22N4O2 — CID 23090606

IUPAC[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCCCC3)cc2-c2ccccc2)cn1
InChIInChI=1S/C21H22N4O2/c1-27-20-11-10-17(15-22-20)25-19(16-8-4-2-5-9-16)14-18(23-25)21(26)24-12-6-3-7-13-24/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3
InChIKeyLWUYBJKLDCZATQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.57
Rot. Bonds4

About [1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone

[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 23090606) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone
PubChem CID23090606
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCCCC3)cc2-c2ccccc2)cn1
InChIInChI=1S/C21H22N4O2/c1-27-20-11-10-17(15-22-20)25-19(16-8-4-2-5-9-16)14-18(23-25)21(26)24-12-6-3-7-13-24/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3
InChIKeyLWUYBJKLDCZATQ-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 10406457
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 23090210
1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 23090254
[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 23090599
N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(piperidine-1-carbonyl)pyrazol-5-yl]phenyl]methyl]ethanesulfonamide
CID 154455929
[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 10023598
tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(piperidine-1-carbonyl)pyrazol-5-yl]phenyl]methyl]carbamate
CID 123706337
[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 11538172
5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
CID 23090117
[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 23090523
[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 11660663
[1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 11675293

Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone (CID 23090606) is [1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone is COc1ccc(-n2nc(C(=O)N3CCCCC3)cc2-c2ccccc2)cn1.
What is the InChIKey of [1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is LWUYBJKLDCZATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-20-11-10-17(15-22-20)25-19(16-8-4-2-5-9-16)14-18(23-25)21(26)24-12-6-3-7-13-24/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3.
What are the key properties of [1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone?
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 362.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 23090606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).