8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

C22H18F2N8O2S — CID 118167985

About 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118167985) has the molecular formula C22H18F2N8O2S and a molecular weight of 496.50 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 118167985
• Molecular Formula: C22H18F2N8O2S
• Molecular Weight: 496.50 g/mol
• Exact Mass: 496.12
• IUPAC Name: 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: COc1ncc(CNC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
• InChI: InChI=1S/C22H18F2N8O2S/c1-12-3-4-18(35-12)16-9-25-20-15(32-17(19(23)24)10-29-30-32)5-14(11-31(16)20)21(33)26-6-13-7-27-22(34-2)28-8-13/h3-5,7-11,19H,6H2,1-2H3,(H,26,33)
• InChIKey: LJVJVLKCERFCIP-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 112.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.50
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 118167985) is 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is COc1ncc(CNC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1.

What is the InChIKey of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is LJVJVLKCERFCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N8O2S/c1-12-3-4-18(35-12)16-9-25-20-15(32-17(19(23)24)10-29-30-32)5-14(11-31(16)20)21(33)26-6-13-7-27-22(34-2)28-8-13/h3-5,7-11,19H,6H2,1-2H3,(H,26,33).

What are the key properties of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?

8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 496.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118167985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).