3-(5-chlorothiophen-2-yl)-8-[5-(difluoromethyl)triazol-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

C19H14ClF2N9OS — CID 118168216

About 3-(5-chlorothiophen-2-yl)-8-[5-(difluoromethyl)triazol-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

3-(5-chlorothiophen-2-yl)-8-[5-(difluoromethyl)triazol-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168216) has the molecular formula C19H14ClF2N9OS and a molecular weight of 489.90 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-8-[5-(difluoromethyl)triazol-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-(5-chlorothiophen-2-yl)-8-[5-(difluoromethyl)triazol-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 118168216
• Molecular Formula: C19H14ClF2N9OS
• Molecular Weight: 489.90 g/mol
• Exact Mass: 489.07
• IUPAC Name: 3-(5-chlorothiophen-2-yl)-8-[5-(difluoromethyl)triazol-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CC(NC(=O)c1cc(-n2nncc2C(F)F)c2ncc(-c3ccc(Cl)s3)n2c1)c1ncn[nH]1
• InChI: InChI=1S/C19H14ClF2N9OS/c1-9(17-24-8-26-28-17)27-19(32)10-4-11(31-13(16(21)22)6-25-29-31)18-23-5-12(30(18)7-10)14-2-3-15(20)33-14/h2-9,16H,1H3,(H,27,32)(H,24,26,28)
• InChIKey: VNJFHPIIHVRSDG-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 118.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.90
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-8-[5-(difluoromethyl)triazol-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 3-(5-chlorothiophen-2-yl)-8-[5-(difluoromethyl)triazol-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168216) is 3-(5-chlorothiophen-2-yl)-8-[5-(difluoromethyl)triazol-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-8-[5-(difluoromethyl)triazol-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 3-(5-chlorothiophen-2-yl)-8-[5-(difluoromethyl)triazol-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is CC(NC(=O)c1cc(-n2nncc2C(F)F)c2ncc(-c3ccc(Cl)s3)n2c1)c1ncn[nH]1.

What is the InChIKey of 3-(5-chlorothiophen-2-yl)-8-[5-(difluoromethyl)triazol-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is VNJFHPIIHVRSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N9OS/c1-9(17-24-8-26-28-17)27-19(32)10-4-11(31-13(16(21)22)6-25-29-31)18-23-5-12(30(18)7-10)14-2-3-15(20)33-14/h2-9,16H,1H3,(H,27,32)(H,24,26,28).

What are the key properties of 3-(5-chlorothiophen-2-yl)-8-[5-(difluoromethyl)triazol-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?

3-(5-chlorothiophen-2-yl)-8-[5-(difluoromethyl)triazol-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 489.90 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chlorothiophen-2-yl)-8-[5-(difluoromethyl)triazol-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).