[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone

C27H24FN5O — CID 110151388

About [3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone

[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (PubChem CID 110151388) has the molecular formula C27H24FN5O and a molecular weight of 453.52 g/mol. Its IUPAC name is [3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
• PubChem CID: 110151388
• Molecular Formula: C27H24FN5O
• Molecular Weight: 453.52 g/mol
• Exact Mass: 453.20
• IUPAC Name: [3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
• SMILES: O=C(c1cccc(-c2cncnc2)n1)N1CCCC(c2cccc(Cc3ccc(F)cc3)n2)C1
• InChI: InChI=1S/C27H24FN5O/c28-22-11-9-19(10-12-22)14-23-5-1-6-24(31-23)20-4-3-13-33(17-20)27(34)26-8-2-7-25(32-26)21-15-29-18-30-16-21/h1-2,5-12,15-16,18,20H,3-4,13-14,17H2
• InChIKey: RXVHNJJGAXWMGL-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 71.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (CID 110151388) is [3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.

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

The canonical SMILES for [3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone is O=C(c1cccc(-c2cncnc2)n1)N1CCCC(c2cccc(Cc3ccc(F)cc3)n2)C1.

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

The InChIKey is RXVHNJJGAXWMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O/c28-22-11-9-19(10-12-22)14-23-5-1-6-24(31-23)20-4-3-13-33(17-20)27(34)26-8-2-7-25(32-26)21-15-29-18-30-16-21/h1-2,5-12,15-16,18,20H,3-4,13-14,17H2.

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

[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone has a molecular weight of 453.52 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone is sourced from PubChem (CID 110151388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).