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

C23H19F3N8OS — CID 118168300

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

N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168300) has the molecular formula C23H19F3N8OS and a molecular weight of 512.52 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 118168300
• Molecular Formula: C23H19F3N8OS
• Molecular Weight: 512.52 g/mol
• Exact Mass: 512.14
• IUPAC Name: N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: Cc1ncc(CNC(=O)c2cc(-n3nncc3CC(F)(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
• InChI: InChI=1S/C23H19F3N8OS/c1-13-3-4-20(36-13)19-11-29-21-18(34-17(10-31-32-34)6-23(24,25)26)5-16(12-33(19)21)22(35)30-9-15-7-27-14(2)28-8-15/h3-5,7-8,10-12H,6,9H2,1-2H3,(H,30,35)
• InChIKey: IMVFLKPTHYBFLC-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 102.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.52
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168300) is N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide.

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

The canonical SMILES for N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide is Cc1ncc(CNC(=O)c2cc(-n3nncc3CC(F)(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1.

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

The InChIKey is IMVFLKPTHYBFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N8OS/c1-13-3-4-20(36-13)19-11-29-21-18(34-17(10-31-32-34)6-23(24,25)26)5-16(12-33(19)21)22(35)30-9-15-7-27-14(2)28-8-15/h3-5,7-8,10-12H,6,9H2,1-2H3,(H,30,35).

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

N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 512.52 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 N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).