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

C26H24FN5O — CID 124976602

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

[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (PubChem CID 124976602) has the molecular formula C26H24FN5O and a molecular weight of 441.51 g/mol. Its IUPAC name is [(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
• PubChem CID: 124976602
• Molecular Formula: C26H24FN5O
• Molecular Weight: 441.51 g/mol
• Exact Mass: 441.20
• IUPAC Name: [(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
• SMILES: O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1
• InChI: InChI=1S/C26H24FN5O/c27-22-10-7-19(8-11-22)16-23-5-1-6-24(30-23)21-4-2-14-31(18-21)26(33)20-9-12-25(28-17-20)32-15-3-13-29-32/h1,3,5-13,15,17,21H,2,4,14,16,18H2/t21-/m0/s1
• InChIKey: LGOATVSNFFPMOI-NRFANRHFSA-N
• XLogP: 4.41
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.51
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (CID 124976602) is [(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.

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

The canonical SMILES for [(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1.

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

The InChIKey is LGOATVSNFFPMOI-NRFANRHFSA-N. The full InChI is InChI=1S/C26H24FN5O/c27-22-10-7-19(8-11-22)16-23-5-1-6-24(30-23)21-4-2-14-31(18-21)26(33)20-9-12-25(28-17-20)32-15-3-13-29-32/h1,3,5-13,15,17,21H,2,4,14,16,18H2/t21-/m0/s1.

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

[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone has a molecular weight of 441.51 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 124976602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).