2-(3-hydroxy-3-methylbutyl)-N-(2,2,2-trifluoroethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide

C22H21F6N5O3 — CID 155702318

About 2-(3-hydroxy-3-methylbutyl)-N-(2,2,2-trifluoroethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide

2-(3-hydroxy-3-methylbutyl)-N-(2,2,2-trifluoroethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 155702318) has the molecular formula C22H21F6N5O3 and a molecular weight of 517.43 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylbutyl)-N-(2,2,2-trifluoroethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(3-hydroxy-3-methylbutyl)-N-(2,2,2-trifluoroethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
• PubChem CID: 155702318
• Molecular Formula: C22H21F6N5O3
• Molecular Weight: 517.43 g/mol
• Exact Mass: 517.15
• IUPAC Name: 2-(3-hydroxy-3-methylbutyl)-N-(2,2,2-trifluoroethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
• SMILES: CC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)NCC(F)(F)F)cc2n1
• InChI: InChI=1S/C22H21F6N5O3/c1-20(2,36)7-6-12-9-33-10-15(13(8-17(33)30-12)18(34)29-11-21(23,24)25)32-19(35)14-4-3-5-16(31-14)22(26,27)28/h3-5,8-10,36H,6-7,11H2,1-2H3,(H,29,34)(H,32,35)
• InChIKey: DKWSBLMKZKKWME-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 108.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.43
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylbutyl)-N-(2,2,2-trifluoroethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?

The IUPAC name of 2-(3-hydroxy-3-methylbutyl)-N-(2,2,2-trifluoroethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide (CID 155702318) is 2-(3-hydroxy-3-methylbutyl)-N-(2,2,2-trifluoroethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide.

What is the SMILES notation for 2-(3-hydroxy-3-methylbutyl)-N-(2,2,2-trifluoroethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?

The canonical SMILES for 2-(3-hydroxy-3-methylbutyl)-N-(2,2,2-trifluoroethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide is CC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)NCC(F)(F)F)cc2n1.

What is the InChIKey of 2-(3-hydroxy-3-methylbutyl)-N-(2,2,2-trifluoroethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?

The InChIKey is DKWSBLMKZKKWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F6N5O3/c1-20(2,36)7-6-12-9-33-10-15(13(8-17(33)30-12)18(34)29-11-21(23,24)25)32-19(35)14-4-3-5-16(31-14)22(26,27)28/h3-5,8-10,36H,6-7,11H2,1-2H3,(H,29,34)(H,32,35).

What are the key properties of 2-(3-hydroxy-3-methylbutyl)-N-(2,2,2-trifluoroethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?

2-(3-hydroxy-3-methylbutyl)-N-(2,2,2-trifluoroethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 517.43 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-hydroxy-3-methylbutyl)-N-(2,2,2-trifluoroethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 155702318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).