4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide

C21H20FN5OS — CID 46344277

About 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide

4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 46344277) has the molecular formula C21H20FN5OS and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

• Compound Name: 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
• PubChem CID: 46344277
• Molecular Formula: C21H20FN5OS
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.14
• IUPAC Name: 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
• SMILES: Cc1csc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)n1
• InChI: InChI=1S/C21H20FN5OS/c1-14-13-29-21(24-14)26-19(28)6-2-5-18-25-17-4-3-11-23-20(17)27(18)12-15-7-9-16(22)10-8-15/h3-4,7-11,13H,2,5-6,12H2,1H3,(H,24,26,28)
• InChIKey: KMTNGPZEELGMLB-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 46344277) is 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide.

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

The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide is Cc1csc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)n1.

What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?

The InChIKey is KMTNGPZEELGMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5OS/c1-14-13-29-21(24-14)26-19(28)6-2-5-18-25-17-4-3-11-23-20(17)27(18)12-15-7-9-16(22)10-8-15/h3-4,7-11,13H,2,5-6,12H2,1H3,(H,24,26,28).

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

4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 409.49 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 46344277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).