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

C23H20F2N8OS — CID 118180420

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

8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118180420) has the molecular formula C23H20F2N8OS and a molecular weight of 494.53 g/mol. Its IUPAC name is 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 118180420
• Molecular Formula: C23H20F2N8OS
• Molecular Weight: 494.53 g/mol
• Exact Mass: 494.14
• IUPAC Name: 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: Cc1ncc(CNC(=O)c2cc(-n3nncc3C(C)(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
• InChI: InChI=1S/C23H20F2N8OS/c1-13-4-5-19(35-13)18-10-28-21-17(33-20(11-30-31-33)23(3,24)25)6-16(12-32(18)21)22(34)29-9-15-7-26-14(2)27-8-15/h4-8,10-12H,9H2,1-3H3,(H,29,34)
• InChIKey: FPVDLYHFJNJFQF-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 102.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.53
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 118180420) is 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

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

The canonical SMILES for 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is Cc1ncc(CNC(=O)c2cc(-n3nncc3C(C)(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1.

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

The InChIKey is FPVDLYHFJNJFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N8OS/c1-13-4-5-19(35-13)18-10-28-21-17(33-20(11-30-31-33)23(3,24)25)6-16(12-32(18)21)22(34)29-9-15-7-26-14(2)27-8-15/h4-8,10-12H,9H2,1-3H3,(H,29,34).

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

8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 494.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-(1,1-difluoroethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118180420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).