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

C40H39BrF6N8O6 — CID 165104578

IUPACN-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1.COC(=O)c1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H21F3N4O4.C19H18BrF3N4O2/c1-20(2,31)8-7-12-10-28-11-15(13(19(30)32-3)9-17(28)25-12)27-18(29)14-5-4-6-16(26-14)21(22,23)24;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/h4-6,9-11,31H,7-8H2,1-3H3,(H,27,29);3-5,8-10,29H,6-7H2,1-2H3,(H,26,28)
InChIKeyYXKDCSINJOIPAT-UHFFFAOYSA-N
MW921.69 g/mol
LogP7.96
Rot. Bonds11

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

N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 165104578) has the molecular formula C40H39BrF6N8O6 and a molecular weight of 921.69 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;methyl 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound NameN-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID165104578
Molecular FormulaC40H39BrF6N8O6
Molecular Weight921.69 g/mol
Exact Mass920.21
IUPAC NameN-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1.COC(=O)c1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H21F3N4O4.C19H18BrF3N4O2/c1-20(2,31)8-7-12-10-28-11-15(13(19(30)32-3)9-17(28)25-12)27-18(29)14-5-4-6-16(26-14)21(22,23)24;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/h4-6,9-11,31H,7-8H2,1-3H3,(H,27,29);3-5,8-10,29H,6-7H2,1-2H3,(H,26,28)
InChIKeyYXKDCSINJOIPAT-UHFFFAOYSA-N
XLogP7.96
TPSA185.34 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500921.69
LogP ≤ 57.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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

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Related Compounds

Methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methylpyridin-2-yl)pyridine-4-carboxylate;6-[2-(6-methylpyridin-2-yl)-6-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134533156
Tert-butyl 4-[7-(2-hydroxypropan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate
CID 146386214
Methyl 2-(3-ethoxy-3-oxopropyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
CID 146386216
Methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
CID 146386238
Methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 154655368
6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655385
N-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998152
N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998269
6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998568
2-(Oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 155166714
Methyl 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
CID 155166964
2-(3-Hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 155167047

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;methyl 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate (CID 165104578) is N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate.
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;methyl 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate is CC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1.COC(=O)c1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.
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;methyl 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is YXKDCSINJOIPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O4.C19H18BrF3N4O2/c1-20(2,31)8-7-12-10-28-11-15(13(19(30)32-3)9-17(28)25-12)27-18(29)14-5-4-6-16(26-14)21(22,23)24;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/h4-6,9-11,31H,7-8H2,1-3H3,(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;methyl 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate?
N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methyl 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 921.69 g/mol, XLogP of 7.96, 11 rotatable bonds, 4 hydrogen bond donors, and 12 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;methyl 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 165104578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).