6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C27H23F3N4O4S — CID 172516957

About 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 172516957) has the molecular formula C27H23F3N4O4S and a molecular weight of 556.57 g/mol. Its IUPAC name is 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 172516957
• Molecular Formula: C27H23F3N4O4S
• Molecular Weight: 556.57 g/mol
• Exact Mass: 556.14
• IUPAC Name: 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(OC2CCOC2)c(C(F)(F)F)c1)c1csc2c1CCN(C(=O)c1cnc3ccccn13)C2
• InChI: InChI=1S/C27H23F3N4O4S/c28-27(29,30)20-11-16(4-5-22(20)38-17-7-10-37-14-17)32-25(35)19-15-39-23-13-33(9-6-18(19)23)26(36)21-12-31-24-3-1-2-8-34(21)24/h1-5,8,11-12,15,17H,6-7,9-10,13-14H2,(H,32,35)
• InChIKey: IOAXMYKNUWXSJG-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.57
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 172516957) is 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is O=C(Nc1ccc(OC2CCOC2)c(C(F)(F)F)c1)c1csc2c1CCN(C(=O)c1cnc3ccccn13)C2.

What is the InChIKey of 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is IOAXMYKNUWXSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O4S/c28-27(29,30)20-11-16(4-5-22(20)38-17-7-10-37-14-17)32-25(35)19-15-39-23-13-33(9-6-18(19)23)26(36)21-12-31-24-3-1-2-8-34(21)24/h1-5,8,11-12,15,17H,6-7,9-10,13-14H2,(H,32,35).

What are the key properties of 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 556.57 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 172516957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).