6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one

C21H23N5O3 — CID 69080959

IUPAC6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one
SMILESCOc1cncc(OC)c1C1CCCC(=O)N1Cc1cccc(-n2cccn2)n1
InChIInChI=1S/C21H23N5O3/c1-28-17-12-22-13-18(29-2)21(17)16-7-4-9-20(27)25(16)14-15-6-3-8-19(24-15)26-11-5-10-23-26/h3,5-6,8,10-13,16H,4,7,9,14H2,1-2H3
InChIKeySRICRIMAFDRKIO-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.93
Rot. Bonds6

About 6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one

6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one (PubChem CID 69080959) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one
PubChem CID69080959
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one
SMILESCOc1cncc(OC)c1C1CCCC(=O)N1Cc1cccc(-n2cccn2)n1
InChIInChI=1S/C21H23N5O3/c1-28-17-12-22-13-18(29-2)21(17)16-7-4-9-20(27)25(16)14-15-6-3-8-19(24-15)26-11-5-10-23-26/h3,5-6,8,10-13,16H,4,7,9,14H2,1-2H3
InChIKeySRICRIMAFDRKIO-UHFFFAOYSA-N
XLogP2.93
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one with MolForge

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Related Compounds

6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one
CID 69083291
6-(2,6-dimethoxyphenyl)-1-[(4-phenyl-2-pyridinyl)methyl]piperidin-2-one
CID 69085337
(6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one
CID 124528104
6-(2,6-dimethoxyphenyl)-1-[(3-piperidin-1-ylphenyl)methyl]piperidin-2-one
CID 69083450
N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine
CID 62293253
6-(2-fluoro-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69083745
6-[2-(3-hydroxypropoxy)-6-methoxyphenyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69080237
6-(2,6-dimethoxyphenyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-2-carbaldehyde
CID 174685596
1-[[4-(trifluoromethoxy)phenyl]methyl]-6-(2,4,6-trimethoxyphenyl)piperidin-2-one
CID 69085032
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 144724019
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 161004059
1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one
CID 69085151

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one?
The IUPAC name of 6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one (CID 69080959) is 6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one.
What is the SMILES notation for 6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one?
The canonical SMILES for 6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one is COc1cncc(OC)c1C1CCCC(=O)N1Cc1cccc(-n2cccn2)n1.
What is the InChIKey of 6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one?
The InChIKey is SRICRIMAFDRKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-28-17-12-22-13-18(29-2)21(17)16-7-4-9-20(27)25(16)14-15-6-3-8-19(24-15)26-11-5-10-23-26/h3,5-6,8,10-13,16H,4,7,9,14H2,1-2H3.
What are the key properties of 6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one?
6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one has a molecular weight of 393.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one is sourced from PubChem (CID 69080959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).