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

C24H26F3N5O4 — CID 155167089

IUPAC2-(3-hydroxy-3-methylbutyl)-N-(oxolan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)NC3CCOC3)cc2n1
InChIInChI=1S/C24H26F3N5O4/c1-23(2,35)8-6-14-11-32-12-18(31-22(34)17-4-3-5-19(30-17)24(25,26)27)16(10-20(32)28-14)21(33)29-15-7-9-36-13-15/h3-5,10-12,15,35H,6-9,13H2,1-2H3,(H,29,33)(H,31,34)
InChIKeyITKRQMYBSZUZMM-UHFFFAOYSA-N
MW505.50 g/mol
LogP3.22
Rot. Bonds7

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

2-(3-hydroxy-3-methylbutyl)-N-(oxolan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 155167089) has the molecular formula C24H26F3N5O4 and a molecular weight of 505.50 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylbutyl)-N-(oxolan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylbutyl)-N-(oxolan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID155167089
Molecular FormulaC24H26F3N5O4
Molecular Weight505.50 g/mol
Exact Mass505.19
IUPAC Name2-(3-hydroxy-3-methylbutyl)-N-(oxolan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)NC3CCOC3)cc2n1
InChIInChI=1S/C24H26F3N5O4/c1-23(2,35)8-6-14-11-32-12-18(31-22(34)17-4-3-5-19(30-17)24(25,26)27)16(10-20(32)28-14)21(33)29-15-7-9-36-13-15/h3-5,10-12,15,35H,6-9,13H2,1-2H3,(H,29,33)(H,31,34)
InChIKeyITKRQMYBSZUZMM-UHFFFAOYSA-N
XLogP3.22
TPSA117.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.50
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylbutyl)-N-(oxolan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 2-(3-hydroxy-3-methylbutyl)-N-(oxolan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide (CID 155167089) is 2-(3-hydroxy-3-methylbutyl)-N-(oxolan-3-yl)-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-(oxolan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 2-(3-hydroxy-3-methylbutyl)-N-(oxolan-3-yl)-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)NC3CCOC3)cc2n1.
What is the InChIKey of 2-(3-hydroxy-3-methylbutyl)-N-(oxolan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is ITKRQMYBSZUZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O4/c1-23(2,35)8-6-14-11-32-12-18(31-22(34)17-4-3-5-19(30-17)24(25,26)27)16(10-20(32)28-14)21(33)29-15-7-9-36-13-15/h3-5,10-12,15,35H,6-9,13H2,1-2H3,(H,29,33)(H,31,34).
What are the key properties of 2-(3-hydroxy-3-methylbutyl)-N-(oxolan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
2-(3-hydroxy-3-methylbutyl)-N-(oxolan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 505.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylbutyl)-N-(oxolan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 155167089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).