7-chloro-3-[2-(1-ethylpiperidin-4-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide

C23H25ClF3N5O — CID 122442740

About 7-chloro-3-[2-(1-ethylpiperidin-4-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide

7-chloro-3-[2-(1-ethylpiperidin-4-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 122442740) has the molecular formula C23H25ClF3N5O and a molecular weight of 479.93 g/mol. Its IUPAC name is 7-chloro-3-[2-(1-ethylpiperidin-4-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-3-[2-(1-ethylpiperidin-4-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 122442740
• Molecular Formula: C23H25ClF3N5O
• Molecular Weight: 479.93 g/mol
• Exact Mass: 479.17
• IUPAC Name: 7-chloro-3-[2-(1-ethylpiperidin-4-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: CCN1CCC(CCn2cnc3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)CC1
• InChI: InChI=1S/C23H25ClF3N5O/c1-2-31-10-7-15(8-11-31)9-12-32-14-29-20-19(24)18(13-28-21(20)32)22(33)30-17-5-3-16(4-6-17)23(25,26)27/h3-6,13-15H,2,7-12H2,1H3,(H,30,33)
• InChIKey: FRISKMDDNQGGOD-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.93
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-(1-ethylpiperidin-4-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 7-chloro-3-[2-(1-ethylpiperidin-4-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 122442740) is 7-chloro-3-[2-(1-ethylpiperidin-4-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 7-chloro-3-[2-(1-ethylpiperidin-4-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 7-chloro-3-[2-(1-ethylpiperidin-4-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide is CCN1CCC(CCn2cnc3c(Cl)c(C(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)CC1.

What is the InChIKey of 7-chloro-3-[2-(1-ethylpiperidin-4-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is FRISKMDDNQGGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF3N5O/c1-2-31-10-7-15(8-11-31)9-12-32-14-29-20-19(24)18(13-28-21(20)32)22(33)30-17-5-3-16(4-6-17)23(25,26)27/h3-6,13-15H,2,7-12H2,1H3,(H,30,33).

What are the key properties of 7-chloro-3-[2-(1-ethylpiperidin-4-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide?

7-chloro-3-[2-(1-ethylpiperidin-4-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 479.93 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-[2-(1-ethylpiperidin-4-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 122442740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).