3-(1-methylpyrazol-3-yl)-N-[2-phenyl-6-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide

C27H19F6N5O2 — CID 118408505

About 3-(1-methylpyrazol-3-yl)-N-[2-phenyl-6-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide

3-(1-methylpyrazol-3-yl)-N-[2-phenyl-6-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 118408505) has the molecular formula C27H19F6N5O2 and a molecular weight of 559.47 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-N-[2-phenyl-6-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 3-(1-methylpyrazol-3-yl)-N-[2-phenyl-6-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide
• PubChem CID: 118408505
• Molecular Formula: C27H19F6N5O2
• Molecular Weight: 559.47 g/mol
• Exact Mass: 559.14
• IUPAC Name: 3-(1-methylpyrazol-3-yl)-N-[2-phenyl-6-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide
• SMILES: Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)nc4ccc(C(O)C(F)(F)F)cn34)ccc2C(F)(F)F)n1
• InChI: InChI=1S/C27H19F6N5O2/c1-37-12-11-20(36-37)18-13-16(7-9-19(18)26(28,29)30)25(40)35-24-22(15-5-3-2-4-6-15)34-21-10-8-17(14-38(21)24)23(39)27(31,32)33/h2-14,23,39H,1H3,(H,35,40)
• InChIKey: KUZJEKDVTAKWBL-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 84.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.47
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-N-[2-phenyl-6-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide?

The IUPAC name of 3-(1-methylpyrazol-3-yl)-N-[2-phenyl-6-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide (CID 118408505) is 3-(1-methylpyrazol-3-yl)-N-[2-phenyl-6-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide.

What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-N-[2-phenyl-6-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide?

The canonical SMILES for 3-(1-methylpyrazol-3-yl)-N-[2-phenyl-6-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)nc4ccc(C(O)C(F)(F)F)cn34)ccc2C(F)(F)F)n1.

What is the InChIKey of 3-(1-methylpyrazol-3-yl)-N-[2-phenyl-6-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide?

The InChIKey is KUZJEKDVTAKWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F6N5O2/c1-37-12-11-20(36-37)18-13-16(7-9-19(18)26(28,29)30)25(40)35-24-22(15-5-3-2-4-6-15)34-21-10-8-17(14-38(21)24)23(39)27(31,32)33/h2-14,23,39H,1H3,(H,35,40).

What are the key properties of 3-(1-methylpyrazol-3-yl)-N-[2-phenyl-6-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide?

3-(1-methylpyrazol-3-yl)-N-[2-phenyl-6-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 559.47 g/mol, XLogP of 6.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-methylpyrazol-3-yl)-N-[2-phenyl-6-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118408505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).