[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone

C24H27ClN4O — CID 110252642

About [3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone

[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone (PubChem CID 110252642) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is [3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

• Compound Name: [3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
• PubChem CID: 110252642
• Molecular Formula: C24H27ClN4O
• Molecular Weight: 422.96 g/mol
• Exact Mass: 422.19
• IUPAC Name: [3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
• SMILES: Cc1cc(Cc2ccccc2Cl)cc(C2CCCN(C(=O)c3cnn(C)c3C)C2)n1
• InChI: InChI=1S/C24H27ClN4O/c1-16-11-18(12-19-7-4-5-9-22(19)25)13-23(27-16)20-8-6-10-29(15-20)24(30)21-14-26-28(3)17(21)2/h4-5,7,9,11,13-14,20H,6,8,10,12,15H2,1-3H3
• InChIKey: UQPBGNDRPLBETK-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.96
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?

The IUPAC name of [3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone (CID 110252642) is [3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone.

What is the SMILES notation for [3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?

The canonical SMILES for [3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone is Cc1cc(Cc2ccccc2Cl)cc(C2CCCN(C(=O)c3cnn(C)c3C)C2)n1.

What is the InChIKey of [3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?

The InChIKey is UQPBGNDRPLBETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-16-11-18(12-19-7-4-5-9-22(19)25)13-23(27-16)20-8-6-10-29(15-20)24(30)21-14-26-28(3)17(21)2/h4-5,7,9,11,13-14,20H,6,8,10,12,15H2,1-3H3.

What are the key properties of [3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?

[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 422.96 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 110252642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).