N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide

C25H25FN4O — CID 46360195

About N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide

N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide (PubChem CID 46360195) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
• PubChem CID: 46360195
• Molecular Formula: C25H25FN4O
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.20
• IUPAC Name: N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
• SMILES: Cc1ccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1C
• InChI: InChI=1S/C25H25FN4O/c1-17-8-13-21(15-18(17)2)28-24(31)7-3-6-23-29-22-5-4-14-27-25(22)30(23)16-19-9-11-20(26)12-10-19/h4-5,8-15H,3,6-7,16H2,1-2H3,(H,28,31)
• InChIKey: TWCHDUOOJRJUGD-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.50
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?

The IUPAC name of N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide (CID 46360195) is N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide.

What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?

The canonical SMILES for N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide is Cc1ccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1C.

What is the InChIKey of N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?

The InChIKey is TWCHDUOOJRJUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c1-17-8-13-21(15-18(17)2)28-24(31)7-3-6-23-29-22-5-4-14-27-25(22)30(23)16-19-9-11-20(26)12-10-19/h4-5,8-15H,3,6-7,16H2,1-2H3,(H,28,31).

What are the key properties of N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?

N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide has a molecular weight of 416.50 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide is sourced from PubChem (CID 46360195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).