ethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid

C38H34Br2F6N8O7 — CID 164959466

IUPACethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCCOC(=O)CCc1cn2cc(N)c(Br)cc2n1.CCOC(=O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1.O=C(O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H16BrF3N4O3.C12H14BrN3O2.C7H4F3NO2/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;1-2-18-12(17)4-3-8-6-16-7-10(14)9(13)5-11(16)15-8;8-7(9,10)5-3-1-2-4(11-5)6(12)13/h3-5,8-10H,2,6-7H2,1H3,(H,26,29);5-7H,2-4,14H2,1H3;1-3H,(H,12,13)
InChIKeyBQBXLGNULACZPJ-UHFFFAOYSA-N
MW988.53 g/mol
LogP8.23
Rot. Bonds11

About ethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid

ethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 164959466) has the molecular formula C38H34Br2F6N8O7 and a molecular weight of 988.53 g/mol. Its IUPAC name is ethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID164959466
Molecular FormulaC38H34Br2F6N8O7
Molecular Weight988.53 g/mol
Exact Mass986.08
IUPAC Nameethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCCOC(=O)CCc1cn2cc(N)c(Br)cc2n1.CCOC(=O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1.O=C(O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H16BrF3N4O3.C12H14BrN3O2.C7H4F3NO2/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;1-2-18-12(17)4-3-8-6-16-7-10(14)9(13)5-11(16)15-8;8-7(9,10)5-3-1-2-4(11-5)6(12)13/h3-5,8-10H,2,6-7H2,1H3,(H,26,29);5-7H,2-4,14H2,1H3;1-3H,(H,12,13)
InChIKeyBQBXLGNULACZPJ-UHFFFAOYSA-N
XLogP8.23
TPSA205.40 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500988.53
LogP ≤ 58.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze ethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of ethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid (CID 164959466) is ethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for ethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for ethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid is CCOC(=O)CCc1cn2cc(N)c(Br)cc2n1.CCOC(=O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1.O=C(O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of ethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is BQBXLGNULACZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF3N4O3.C12H14BrN3O2.C7H4F3NO2/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;1-2-18-12(17)4-3-8-6-16-7-10(14)9(13)5-11(16)15-8;8-7(9,10)5-3-1-2-4(11-5)6(12)13/h3-5,8-10H,2,6-7H2,1H3,(H,26,29);5-7H,2-4,14H2,1H3;1-3H,(H,12,13).
What are the key properties of ethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid?
ethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 988.53 g/mol, XLogP of 8.23, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-amino-7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate;ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate;6-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 164959466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).