3-[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one

C34H36Cl2N4O2 — CID 160852450

About 3-[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one

3-[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one (PubChem CID 160852450) has the molecular formula C34H36Cl2N4O2 and a molecular weight of 603.59 g/mol. Its IUPAC name is 3-[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one.

Molecular Properties

• Compound Name: 3-[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one
• PubChem CID: 160852450
• Molecular Formula: C34H36Cl2N4O2
• Molecular Weight: 603.59 g/mol
• Exact Mass: 602.22
• IUPAC Name: 3-[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one
• SMILES: CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCCCC2)cc(-c2nn(-c3ccc(Cl)cc3)cc2Cl)c1=O
• InChI: InChI=1S/C34H36Cl2N4O2/c1-5-23-11-10-12-24(6-2)32(23)40-30(19-22(3)4)27(33(41)38-17-8-7-9-18-38)20-28(34(40)42)31-29(36)21-39(37-31)26-15-13-25(35)14-16-26/h10-16,19-21H,5-9,17-18H2,1-4H3
• InChIKey: SJKWURNSSGUZOA-UHFFFAOYSA-N
• XLogP: 8.17
• TPSA: 60.13 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.59
LogP ≤ 5	8.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one?

The IUPAC name of 3-[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one (CID 160852450) is 3-[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one.

What is the SMILES notation for 3-[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one?

The canonical SMILES for 3-[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one is CCc1cccc(CC)c1-n1c(C=C(C)C)c(C(=O)N2CCCCC2)cc(-c2nn(-c3ccc(Cl)cc3)cc2Cl)c1=O.

What is the InChIKey of 3-[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one?

The InChIKey is SJKWURNSSGUZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36Cl2N4O2/c1-5-23-11-10-12-24(6-2)32(23)40-30(19-22(3)4)27(33(41)38-17-8-7-9-18-38)20-28(34(40)42)31-29(36)21-39(37-31)26-15-13-25(35)14-16-26/h10-16,19-21H,5-9,17-18H2,1-4H3.

What are the key properties of 3-[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one?

3-[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one has a molecular weight of 603.59 g/mol, XLogP of 8.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 160852450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).