3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide

C23H21F2N5O — CID 174235385

About 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide

3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide (PubChem CID 174235385) has the molecular formula C23H21F2N5O and a molecular weight of 421.45 g/mol. Its IUPAC name is 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide.

Molecular Properties

• Compound Name: 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
• PubChem CID: 174235385
• Molecular Formula: C23H21F2N5O
• Molecular Weight: 421.45 g/mol
• Exact Mass: 421.17
• IUPAC Name: 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
• SMILES: CC(NC(=O)CCc1nc2cccnc2n1Cc1ccc(F)c(F)c1)c1ccccn1
• InChI: InChI=1S/C23H21F2N5O/c1-15(19-5-2-3-11-26-19)28-22(31)10-9-21-29-20-6-4-12-27-23(20)30(21)14-16-7-8-17(24)18(25)13-16/h2-8,11-13,15H,9-10,14H2,1H3,(H,28,31)
• InChIKey: ZDPSYRLYNXFVDA-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.45
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide?

The IUPAC name of 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide (CID 174235385) is 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide.

What is the SMILES notation for 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide?

The canonical SMILES for 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide is CC(NC(=O)CCc1nc2cccnc2n1Cc1ccc(F)c(F)c1)c1ccccn1.

What is the InChIKey of 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide?

The InChIKey is ZDPSYRLYNXFVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O/c1-15(19-5-2-3-11-26-19)28-22(31)10-9-21-29-20-6-4-12-27-23(20)30(21)14-16-7-8-17(24)18(25)13-16/h2-8,11-13,15H,9-10,14H2,1H3,(H,28,31).

What are the key properties of 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide?

3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide has a molecular weight of 421.45 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 174235385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).