3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C22H26BrFN4O — CID 18732767

About 3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 18732767) has the molecular formula C22H26BrFN4O and a molecular weight of 461.38 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 18732767
• Molecular Formula: C22H26BrFN4O
• Molecular Weight: 461.38 g/mol
• Exact Mass: 460.13
• IUPAC Name: 3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• SMILES: CCCn1c(CN(CCC(C)C)C(=O)c2ccc(F)c(Br)c2)nc2cccnc21
• InChI: InChI=1S/C22H26BrFN4O/c1-4-11-28-20(26-19-6-5-10-25-21(19)28)14-27(12-9-15(2)3)22(29)16-7-8-18(24)17(23)13-16/h5-8,10,13,15H,4,9,11-12,14H2,1-3H3
• InChIKey: ATRIPMDJMVMHAI-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.38
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The IUPAC name of 3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 18732767) is 3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

What is the SMILES notation for 3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The canonical SMILES for 3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CCCn1c(CN(CCC(C)C)C(=O)c2ccc(F)c(Br)c2)nc2cccnc21.

What is the InChIKey of 3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The InChIKey is ATRIPMDJMVMHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrFN4O/c1-4-11-28-20(26-19-6-5-10-25-21(19)28)14-27(12-9-15(2)3)22(29)16-7-8-18(24)17(23)13-16/h5-8,10,13,15H,4,9,11-12,14H2,1-3H3.

What are the key properties of 3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 461.38 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 18732767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).