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

C38H34Br2F6N8O5 — CID 164977210

IUPACN-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1.CCOC(=O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1
InChIInChI=1S/C19H16BrF3N4O3.C19H18BrF3N4O2/c1-2-30-17(28)7-6-11-9-27-10-14(12(20)8-16(27)24-11)26-18(29)13-4-3-5-15(25-13)19(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/h3-5,8-10H,2,6-7H2,1H3,(H,26,29);3-5,8-10,29H,6-7H2,1-2H3,(H,26,28)
InChIKeyDYNMUTZASPOOFN-UHFFFAOYSA-N
MW956.54 g/mol
LogP8.73
Rot. Bonds11

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

N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate (PubChem CID 164977210) has the molecular formula C38H34Br2F6N8O5 and a molecular weight of 956.54 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;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate.

Molecular Properties

Compound NameN-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
PubChem CID164977210
Molecular FormulaC38H34Br2F6N8O5
Molecular Weight956.54 g/mol
Exact Mass954.09
IUPAC NameN-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1.CCOC(=O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1
InChIInChI=1S/C19H16BrF3N4O3.C19H18BrF3N4O2/c1-2-30-17(28)7-6-11-9-27-10-14(12(20)8-16(27)24-11)26-18(29)13-4-3-5-15(25-13)19(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/h3-5,8-10H,2,6-7H2,1H3,(H,26,29);3-5,8-10,29H,6-7H2,1-2H3,(H,26,28)
InChIKeyDYNMUTZASPOOFN-UHFFFAOYSA-N
XLogP8.73
TPSA165.11 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500956.54
LogP ≤ 58.73
H-Bond Donors ≤ 53
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;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate with MolForge

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Related Compounds

N-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655525
6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998213
6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998216
N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998219
6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998296
6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998311
N-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998323
6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998589
N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155167090
Ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
CID 155167092
(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[5,6-dimethyl-3-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;methyl (2S)-2-amino-3-[8-[5,6-dimethyl-3-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate
CID 158795763
(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;methyl (2S)-2-amino-3-[8-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate
CID 159543889

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;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate?
The IUPAC name of N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate (CID 164977210) is N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate.
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;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate?
The canonical SMILES for N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate is CC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1.CCOC(=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;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate?
The InChIKey is DYNMUTZASPOOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF3N4O3.C19H18BrF3N4O2/c1-2-30-17(28)7-6-11-9-27-10-14(12(20)8-16(27)24-11)26-18(29)13-4-3-5-15(25-13)19(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/h3-5,8-10H,2,6-7H2,1H3,(H,26,29);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;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate?
N-[7-bromo-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate has a molecular weight of 956.54 g/mol, XLogP of 8.73, 11 rotatable bonds, 3 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;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate is sourced from PubChem (CID 164977210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).