2-[(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 118168301

About 2-[(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

2-[(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 118168301) has the molecular formula C23H19F3N8OS and a molecular weight of 512.52 g/mol. Its IUPAC name is 2-[(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: 2-[(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: 118168301
• Molecular Formula: C23H19F3N8OS
• Molecular Weight: 512.52 g/mol
• Exact Mass: 512.14
• IUPAC Name: 2-[(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(Cc2nc3c(-n4nncc4CC(F)(F)F)cc(C(N)=O)cn3c2-c2ccc(C)s2)cn1
• InChI: InChI=1S/C23H19F3N8OS/c1-12-3-4-19(36-12)20-17(5-14-8-28-13(2)29-9-14)31-22-18(6-15(21(27)35)11-33(20)22)34-16(10-30-32-34)7-23(24,25)26/h3-4,6,8-11H,5,7H2,1-2H3,(H2,27,35)
• InChIKey: XZLBZMJOXWYJRE-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 116.88 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	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(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 2-[(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 118168301) is 2-[(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 2-[(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 2-[(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(Cc2nc3c(-n4nncc4CC(F)(F)F)cc(C(N)=O)cn3c2-c2ccc(C)s2)cn1.

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

What are the key properties of 2-[(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?

2-[(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 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(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 118168301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).