[6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone

C21H22N4O2 — CID 74249634

IUPAC[6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCCCC3)cn2)c(-n2cccn2)c1
InChIInChI=1S/C21H22N4O2/c1-27-17-7-8-18(20(14-17)25-13-5-10-23-25)19-9-6-16(15-22-19)21(26)24-11-3-2-4-12-24/h5-10,13-15H,2-4,11-12H2,1H3
InChIKeyZNGZYGUAZPBKII-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.57
Rot. Bonds4

About [6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone

[6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 74249634) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID74249634
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCCCC3)cn2)c(-n2cccn2)c1
InChIInChI=1S/C21H22N4O2/c1-27-17-7-8-18(20(14-17)25-13-5-10-23-25)19-9-6-16(15-22-19)21(26)24-11-3-2-4-12-24/h5-10,13-15H,2-4,11-12H2,1H3
InChIKeyZNGZYGUAZPBKII-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

PZ-II-029
CID 10426200
5-Methoxy-2-methyl-N-(4-(4-(4-(trifluoromethoxy)phenyl)piperidin-1-yl)benzyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188597
Pyrrolopyridine, 29
CID 16720207
5-Amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 86342042
7-Methoxy-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 10424361
5-Amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide
CID 86342141
4-Fluoro-3-(((5-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)methyl)amino)-N-(3-(trifluoromethoxy)phenyl)benzamide
CID 145925694
Dihydropyrrolopyrazole, 22
CID 24776256
2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 10266271
9-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 10469516
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
6-(1-Methylpyrazol-4-yl)-2-[2-[7-(6-oxoheptoxy)quinolin-4-yl]oxyethyl]pyridazin-3-one
CID 145968221

Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone (CID 74249634) is [6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone is COc1ccc(-c2ccc(C(=O)N3CCCCC3)cn2)c(-n2cccn2)c1.
What is the InChIKey of [6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is ZNGZYGUAZPBKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-17-7-8-18(20(14-17)25-13-5-10-23-25)19-9-6-16(15-22-19)21(26)24-11-3-2-4-12-24/h5-10,13-15H,2-4,11-12H2,1H3.
What are the key properties of [6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone?
[6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-pyridinyl]-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 [6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 74249634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).