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

C22H18F3N9OS — CID 118168518

About N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-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-methyl-1,3-thiazol-2-yl)-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168518) has the molecular formula C22H18F3N9OS and a molecular weight of 513.51 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-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-methyl-1,3-thiazol-2-yl)-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 118168518
• Molecular Formula: C22H18F3N9OS
• Molecular Weight: 513.51 g/mol
• Exact Mass: 513.13
• IUPAC Name: N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-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(-c4ncc(C)s4)n3c2)cn1
• InChI: InChI=1S/C22H18F3N9OS/c1-12-5-30-21(36-12)18-10-28-19-17(34-16(9-31-32-34)4-22(23,24)25)3-15(11-33(18)19)20(35)29-8-14-6-26-13(2)27-7-14/h3,5-7,9-11H,4,8H2,1-2H3,(H,29,35)
• InChIKey: NFDTZIPUUIXIPH-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 115.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.51
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-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-methyl-1,3-thiazol-2-yl)-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168518) is N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-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-methyl-1,3-thiazol-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-methyl-1,3-thiazol-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(-c4ncc(C)s4)n3c2)cn1.

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

The InChIKey is NFDTZIPUUIXIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N9OS/c1-12-5-30-21(36-12)18-10-28-19-17(34-16(9-31-32-34)4-22(23,24)25)3-15(11-33(18)19)20(35)29-8-14-6-26-13(2)27-7-14/h3,5-7,9-11H,4,8H2,1-2H3,(H,29,35).

What are the key properties of N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-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-methyl-1,3-thiazol-2-yl)-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 513.51 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).