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

C39H36BrF6N9O4 — CID 165068762

IUPACN-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[7-cyano-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.CC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C#N)cc2n1
InChIInChI=1S/C20H18F3N5O2.C19H18BrF3N4O2/c1-19(2,30)7-6-13-10-28-11-15(12(9-24)8-17(28)25-13)27-18(29)14-4-3-5-16(26-14)20(21,22)23;1-18(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/h3-5,8,10-11,30H,6-7H2,1-2H3,(H,27,29);3-5,8-10,29H,6-7H2,1-2H3,(H,26,28)
InChIKeySKCNVBXSQYXWLW-UHFFFAOYSA-N
MW888.67 g/mol
LogP8.04
Rot. Bonds10

About N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[7-cyano-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;N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 165068762) has the molecular formula C39H36BrF6N9O4 and a molecular weight of 888.67 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;N-[7-cyano-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;N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID165068762
Molecular FormulaC39H36BrF6N9O4
Molecular Weight888.67 g/mol
Exact Mass887.20
IUPAC NameN-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[7-cyano-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.CC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C#N)cc2n1
InChIInChI=1S/C20H18F3N5O2.C19H18BrF3N4O2/c1-19(2,30)7-6-13-10-28-11-15(12(9-24)8-17(28)25-13)27-18(29)14-4-3-5-16(26-14)20(21,22)23;1-18(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/h3-5,8,10-11,30H,6-7H2,1-2H3,(H,27,29);3-5,8-10,29H,6-7H2,1-2H3,(H,26,28)
InChIKeySKCNVBXSQYXWLW-UHFFFAOYSA-N
XLogP8.04
TPSA182.83 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500888.67
LogP ≤ 58.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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

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Related Compounds

2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
CID 155166807
N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155166941
N-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
CID 155167035
2-(3-Hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
CID 155167088
N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155167090
N-[7-(ethylaminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155176572
N-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155176590
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
N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 164799937
N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164822094
N-[2-(3-hydroxy-3-methylbutyl)-7-piperazin-1-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164822095
N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164822097

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;N-[7-cyano-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;N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 165068762) is N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[7-cyano-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;N-[7-cyano-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;N-[7-cyano-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.CC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C#N)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;N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is SKCNVBXSQYXWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2.C19H18BrF3N4O2/c1-19(2,30)7-6-13-10-28-11-15(12(9-24)8-17(28)25-13)27-18(29)14-4-3-5-16(26-14)20(21,22)23;1-18(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/h3-5,8,10-11,30H,6-7H2,1-2H3,(H,27,29);3-5,8-10,29H,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-cyano-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;N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 888.67 g/mol, XLogP of 8.04, 10 rotatable bonds, 4 hydrogen bond donors, and 11 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;N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 165068762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).