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

C19H18BrF3N4O2 — CID 155167090

IUPACN-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1
InChIInChI=1S/C19H18BrF3N4O2/c1-18(2,29)7-6-11-9-27-10-14(12(20)8-16(27)24-11)26-17(28)13-4-3-5-15(25-13)19(21,22)23/h3-5,8-10,29H,6-7H2,1-2H3,(H,26,28)
InChIKeyPHAWMDZADSNKTA-UHFFFAOYSA-N
MW471.28 g/mol
LogP4.47
Rot. Bonds5

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

N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155167090) has the molecular formula C19H18BrF3N4O2 and a molecular weight of 471.28 g/mol. Its IUPAC name is N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155167090
Molecular FormulaC19H18BrF3N4O2
Molecular Weight471.28 g/mol
Exact Mass470.06
IUPAC NameN-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1
InChIInChI=1S/C19H18BrF3N4O2/c1-18(2,29)7-6-11-9-27-10-14(12(20)8-16(27)24-11)26-17(28)13-4-3-5-15(25-13)19(21,22)23/h3-5,8-10,29H,6-7H2,1-2H3,(H,26,28)
InChIKeyPHAWMDZADSNKTA-UHFFFAOYSA-N
XLogP4.47
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.28
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155167090) is N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1.
What is the InChIKey of N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is PHAWMDZADSNKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF3N4O2/c1-18(2,29)7-6-11-9-27-10-14(12(20)8-16(27)24-11)26-17(28)13-4-3-5-15(25-13)19(21,22)23/h3-5,8-10,29H,6-7H2,1-2H3,(H,26,28).
What are the key properties of N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 471.28 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155167090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).