2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

C28H25F4N7O2 — CID 171782541

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 171782541) has the molecular formula C28H25F4N7O2 and a molecular weight of 567.55 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 171782541
• Molecular Formula: C28H25F4N7O2
• Molecular Weight: 567.55 g/mol
• Exact Mass: 567.20
• IUPAC Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: CCn1cc(C(F)(F)F)nc1-c1c(F)cc(Cc2cccc3nc(-c4c(OC)ncnc4C4CC4)nn23)cc1OC
• InChI: InChI=1S/C28H25F4N7O2/c1-4-38-13-20(28(30,31)32)35-26(38)22-18(29)11-15(12-19(22)40-2)10-17-6-5-7-21-36-25(37-39(17)21)23-24(16-8-9-16)33-14-34-27(23)41-3/h5-7,11-14,16H,4,8-10H2,1-3H3
• InChIKey: ABCVQYPJWJHXES-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 92.25 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.55
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 171782541) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is CCn1cc(C(F)(F)F)nc1-c1c(F)cc(Cc2cccc3nc(-c4c(OC)ncnc4C4CC4)nn23)cc1OC.

What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is ABCVQYPJWJHXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F4N7O2/c1-4-38-13-20(28(30,31)32)35-26(38)22-18(29)11-15(12-19(22)40-2)10-17-6-5-7-21-36-25(37-39(17)21)23-24(16-8-9-16)33-14-34-27(23)41-3/h5-7,11-14,16H,4,8-10H2,1-3H3.

What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 567.55 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-5-methoxyphenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 171782541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).