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

C21H16F3N9O2S — CID 118168350

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

N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168350) has the molecular formula C21H16F3N9O2S and a molecular weight of 515.48 g/mol. Its IUPAC name is N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 118168350
• Molecular Formula: C21H16F3N9O2S
• Molecular Weight: 515.48 g/mol
• Exact Mass: 515.11
• IUPAC Name: N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: COc1ncc(CNC(=O)c2cc(-n3nncc3C(F)(F)F)c3ncc(-c4ncc(C)s4)n3c2)cn1
• InChI: InChI=1S/C21H16F3N9O2S/c1-11-4-27-19(36-11)15-8-25-17-14(33-16(9-30-31-33)21(22,23)24)3-13(10-32(15)17)18(34)26-5-12-6-28-20(35-2)29-7-12/h3-4,6-10H,5H2,1-2H3,(H,26,34)
• InChIKey: NCBPHPOOZGFIKV-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 125.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.48
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168350) is N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide.

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

The canonical SMILES for N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide is COc1ncc(CNC(=O)c2cc(-n3nncc3C(F)(F)F)c3ncc(-c4ncc(C)s4)n3c2)cn1.

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

The InChIKey is NCBPHPOOZGFIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N9O2S/c1-11-4-27-19(36-11)15-8-25-17-14(33-16(9-30-31-33)21(22,23)24)3-13(10-32(15)17)18(34)26-5-12-6-28-20(35-2)29-7-12/h3-4,6-10H,5H2,1-2H3,(H,26,34).

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

N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 515.48 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).