2-[(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 118168519

About 2-[(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

2-[(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 118168519) has the molecular formula C22H18F3N9OS and a molecular weight of 513.51 g/mol. Its IUPAC name is 2-[(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: 2-[(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: 118168519
• Molecular Formula: C22H18F3N9OS
• Molecular Weight: 513.51 g/mol
• Exact Mass: 513.13
• IUPAC Name: 2-[(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(Cc2nc3c(-n4nncc4CC(F)(F)F)cc(C(N)=O)cn3c2-c2ncc(C)s2)cn1
• InChI: InChI=1S/C22H18F3N9OS/c1-11-6-29-21(36-11)18-16(3-13-7-27-12(2)28-8-13)31-20-17(4-14(19(26)35)10-33(18)20)34-15(9-30-32-34)5-22(23,24)25/h4,6-10H,3,5H2,1-2H3,(H2,26,35)
• InChIKey: RXYUWSIQSWBABO-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 129.77 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	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[(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 2-[(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 118168519) is 2-[(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 2-[(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 2-[(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(Cc2nc3c(-n4nncc4CC(F)(F)F)cc(C(N)=O)cn3c2-c2ncc(C)s2)cn1.

What is the InChIKey of 2-[(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 RXYUWSIQSWBABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N9OS/c1-11-6-29-21(36-11)18-16(3-13-7-27-12(2)28-8-13)31-20-17(4-14(19(26)35)10-33(18)20)34-15(9-30-32-34)5-22(23,24)25/h4,6-10H,3,5H2,1-2H3,(H2,26,35).

What are the key properties of 2-[(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?

2-[(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 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(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 118168519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).