1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid

C71H48F6N12O10 — CID 159053315

IUPAC1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
SMILESCc1nccc(-n2ccc3cc(C(=O)O)ccc32)n1.O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1.O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)nc2)c1.O=C(O)c1ccc2c(ccn2-c2ccccn2)c1.O=C(O)c1ccc2c(ccn2-c2cnccn2)c1
InChIInChI=1S/2C15H9F3N2O2.C14H11N3O2.C14H10N2O2.C13H9N3O2/c16-15(17,18)13-4-2-11(8-19-13)20-6-5-9-7-10(14(21)22)1-3-12(9)20;16-15(17,18)11-2-4-13(19-8-11)20-6-5-9-7-10(14(21)22)1-3-12(9)20;1-9-15-6-4-13(16-9)17-7-5-10-8-11(14(18)19)2-3-12(10)17;17-14(18)11-4-5-12-10(9-11)6-8-16(12)13-3-1-2-7-15-13;17-13(18)10-1-2-11-9(7-10)3-6-16(11)12-8-14-4-5-15-12/h2*1-8H,(H,21,22);2-8H,1H3,(H,18,19);1-9H,(H,17,18);1-8H,(H,17,18)
InChIKeyJXNXJBZOASONGD-UHFFFAOYSA-N
MW1343.23 g/mol
LogP14.75
Rot. Bonds10

About 1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid

1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid (PubChem CID 159053315) has the molecular formula C71H48F6N12O10 and a molecular weight of 1343.23 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
PubChem CID159053315
Molecular FormulaC71H48F6N12O10
Molecular Weight1343.23 g/mol
Exact Mass1342.35
IUPAC Name1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
SMILESCc1nccc(-n2ccc3cc(C(=O)O)ccc32)n1.O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1.O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)nc2)c1.O=C(O)c1ccc2c(ccn2-c2ccccn2)c1.O=C(O)c1ccc2c(ccn2-c2cnccn2)c1
InChIInChI=1S/2C15H9F3N2O2.C14H11N3O2.C14H10N2O2.C13H9N3O2/c16-15(17,18)13-4-2-11(8-19-13)20-6-5-9-7-10(14(21)22)1-3-12(9)20;16-15(17,18)11-2-4-13(19-8-11)20-6-5-9-7-10(14(21)22)1-3-12(9)20;1-9-15-6-4-13(16-9)17-7-5-10-8-11(14(18)19)2-3-12(10)17;17-14(18)11-4-5-12-10(9-11)6-8-16(12)13-3-1-2-7-15-13;17-13(18)10-1-2-11-9(7-10)3-6-16(11)12-8-14-4-5-15-12/h2*1-8H,(H,21,22);2-8H,1H3,(H,18,19);1-9H,(H,17,18);1-8H,(H,17,18)
InChIKeyJXNXJBZOASONGD-UHFFFAOYSA-N
XLogP14.75
TPSA301.38 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001343.23
LogP ≤ 514.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid with MolForge

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Related Compounds

3-[[5-[4-[5-carbamoyl-3-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-2-phenyl-1H-indol-7-yl]pyrimidin-2-yl]-2-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-phenyl-1H-indole-5-carboxylic acid
CID 123951641
3,3-Difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridine;ethyl 4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoate;4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzaldehyde
CID 157088310
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(5-fluoro-2-pyridinyl)indole-4-carboxylic acid;4-(3-methylindol-1-yl)benzoic acid
CID 157160079
1-(5-Fluoro-2-pyridinyl)indole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indole-5-carboxylic acid;1-(6-methoxy-3-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-3-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyridin-3-ylindole-5-carboxylic acid;1-pyridin-4-ylindole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid
CID 157196375
CID 157464434
CID 157464434
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine;2-[(7H-purin-6-ylamino)methyl]benzoic acid;N-(2-pyridin-2-ylethyl)-7H-purin-6-amine;N-[2-[4-(trifluoromethyl)phenyl]ethyl]-7H-purin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 157755552
CID 157758504
CID 157758504
1-(5-Chloro-2-pyridinyl)indole-5-carboxylic acid;1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-phenylindazole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid
CID 157779012
2-[3-[4-(Hydroxymethyl)imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]ethanone;1-[4-(hydroxymethyl)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-[(1-hydroxy-4-pyridin-3-ylpyrimidin-2-ylidene)amino]-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-[(1-hydroxy-6-pyridin-3-ylpyrimidin-2-ylidene)amino]-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-[4-methyl-3-[[4-(1-oxidopyridin-1-ium-3-yl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 157795084
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid
CID 157797980
CID 157928826
CID 157928826
Tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-amine;2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;methyl 3-fluoro-2-phenylimidazo[1,2-a]pyridine-7-carboxylate;methyl 3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-[(2,2,2-trifluoro-1-phenylethylidene)amino]pyridine-4-carboxylate;hydrochloride
CID 157972960

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid (CID 159053315) is 1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid is Cc1nccc(-n2ccc3cc(C(=O)O)ccc32)n1.O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1.O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)nc2)c1.O=C(O)c1ccc2c(ccn2-c2ccccn2)c1.O=C(O)c1ccc2c(ccn2-c2cnccn2)c1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid?
The InChIKey is JXNXJBZOASONGD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H9F3N2O2.C14H11N3O2.C14H10N2O2.C13H9N3O2/c16-15(17,18)13-4-2-11(8-19-13)20-6-5-9-7-10(14(21)22)1-3-12(9)20;16-15(17,18)11-2-4-13(19-8-11)20-6-5-9-7-10(14(21)22)1-3-12(9)20;1-9-15-6-4-13(16-9)17-7-5-10-8-11(14(18)19)2-3-12(10)17;17-14(18)11-4-5-12-10(9-11)6-8-16(12)13-3-1-2-7-15-13;17-13(18)10-1-2-11-9(7-10)3-6-16(11)12-8-14-4-5-15-12/h2*1-8H,(H,21,22);2-8H,1H3,(H,18,19);1-9H,(H,17,18);1-8H,(H,17,18).
What are the key properties of 1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid?
1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid has a molecular weight of 1343.23 g/mol, XLogP of 14.75, 10 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid is sourced from PubChem (CID 159053315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).