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

C24H27FN4O — CID 110252635

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

(1,3-dimethylpyrazol-4-yl)-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110252635) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (1,3-dimethylpyrazol-4-yl)-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
• PubChem CID: 110252635
• Molecular Formula: C24H27FN4O
• Molecular Weight: 406.51 g/mol
• Exact Mass: 406.22
• IUPAC Name: (1,3-dimethylpyrazol-4-yl)-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
• SMILES: Cc1cc(Cc2ccccc2F)cc(C2CCCN(C(=O)c3cn(C)nc3C)C2)n1
• InChI: InChI=1S/C24H27FN4O/c1-16-11-18(12-19-7-4-5-9-22(19)25)13-23(26-16)20-8-6-10-29(14-20)24(30)21-15-28(3)27-17(21)2/h4-5,7,9,11,13,15,20H,6,8,10,12,14H2,1-3H3
• InChIKey: PPJSQPATDMVFRL-UHFFFAOYSA-N
• XLogP: 4.18
• 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	406.51
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (CID 110252635) is (1,3-dimethylpyrazol-4-yl)-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.

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

The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is Cc1cc(Cc2ccccc2F)cc(C2CCCN(C(=O)c3cn(C)nc3C)C2)n1.

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

The InChIKey is PPJSQPATDMVFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-16-11-18(12-19-7-4-5-9-22(19)25)13-23(26-16)20-8-6-10-29(14-20)24(30)21-15-28(3)27-17(21)2/h4-5,7,9,11,13,15,20H,6,8,10,12,14H2,1-3H3.

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

(1,3-dimethylpyrazol-4-yl)-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 406.51 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1,3-dimethylpyrazol-4-yl)-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110252635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).