N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide

C25H28F4N4O — CID 18734077

About N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide

N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide (PubChem CID 18734077) has the molecular formula C25H28F4N4O and a molecular weight of 476.52 g/mol. Its IUPAC name is N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide
• PubChem CID: 18734077
• Molecular Formula: C25H28F4N4O
• Molecular Weight: 476.52 g/mol
• Exact Mass: 476.22
• IUPAC Name: N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide
• SMILES: CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1c(F)cccc1C(F)(F)F
• InChI: InChI=1S/C25H28F4N4O/c1-2-3-6-15-32(24(34)22-18(25(27,28)29)11-7-12-19(22)26)16-21-31-20-13-8-14-30-23(20)33(21)17-9-4-5-10-17/h7-8,11-14,17H,2-6,9-10,15-16H2,1H3
• InChIKey: ZSJIXGPQXSFFCR-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.52
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide?

The IUPAC name of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide (CID 18734077) is N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide?

The canonical SMILES for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide is CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1c(F)cccc1C(F)(F)F.

What is the InChIKey of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide?

The InChIKey is ZSJIXGPQXSFFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F4N4O/c1-2-3-6-15-32(24(34)22-18(25(27,28)29)11-7-12-19(22)26)16-21-31-20-13-8-14-30-23(20)33(21)17-9-4-5-10-17/h7-8,11-14,17H,2-6,9-10,15-16H2,1H3.

What are the key properties of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide?

N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide has a molecular weight of 476.52 g/mol, XLogP of 6.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 18734077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).