1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid

C73H46F9N9O10 — CID 159791665

IUPAC1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
SMILESCc1cn(-c2ccc(F)c(F)c2)c2ccc(C(=O)O)cc12.O=C(O)c1ccc2c(cnn2-c2ccc(C(F)(F)F)cc2)c1.O=C(O)c1ccc2c(cnn2-c2ccc(F)c(F)c2)c1.O=C(O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.O=C(O)c1ccc2c(cnn2-c2cccc(F)c2)c1
InChIInChI=1S/C16H11F2NO2.C15H9F3N2O2.C14H8F2N2O2.2C14H9FN2O2/c1-9-8-19(11-3-4-13(17)14(18)7-11)15-5-2-10(16(20)21)6-12(9)15;16-15(17,18)11-2-4-12(5-3-11)20-13-6-1-9(14(21)22)7-10(13)8-19-20;15-11-3-2-10(6-12(11)16)18-13-4-1-8(14(19)20)5-9(13)7-17-18;15-11-2-4-12(5-3-11)17-13-6-1-9(14(18)19)7-10(13)8-16-17;15-11-2-1-3-12(7-11)17-13-5-4-9(14(18)19)6-10(13)8-16-17/h2-8H,1H3,(H,20,21);1-8H,(H,21,22);1-7H,(H,19,20);2*1-8H,(H,18,19)
InChIKeyNIQFRVSHKFYCQX-UHFFFAOYSA-N
MW1380.21 g/mol
LogP16.39
Rot. Bonds10

About 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid

1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid (PubChem CID 159791665) has the molecular formula C73H46F9N9O10 and a molecular weight of 1380.21 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
PubChem CID159791665
Molecular FormulaC73H46F9N9O10
Molecular Weight1380.21 g/mol
Exact Mass1379.32
IUPAC Name1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
SMILESCc1cn(-c2ccc(F)c(F)c2)c2ccc(C(=O)O)cc12.O=C(O)c1ccc2c(cnn2-c2ccc(C(F)(F)F)cc2)c1.O=C(O)c1ccc2c(cnn2-c2ccc(F)c(F)c2)c1.O=C(O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.O=C(O)c1ccc2c(cnn2-c2cccc(F)c2)c1
InChIInChI=1S/C16H11F2NO2.C15H9F3N2O2.C14H8F2N2O2.2C14H9FN2O2/c1-9-8-19(11-3-4-13(17)14(18)7-11)15-5-2-10(16(20)21)6-12(9)15;16-15(17,18)11-2-4-12(5-3-11)20-13-6-1-9(14(21)22)7-10(13)8-19-20;15-11-3-2-10(6-12(11)16)18-13-4-1-8(14(19)20)5-9(13)7-17-18;15-11-2-4-12(5-3-11)17-13-6-1-9(14(18)19)7-10(13)8-16-17;15-11-2-1-3-12(7-11)17-13-5-4-9(14(18)19)6-10(13)8-16-17/h2-8H,1H3,(H,20,21);1-8H,(H,21,22);1-7H,(H,19,20);2*1-8H,(H,18,19)
InChIKeyNIQFRVSHKFYCQX-UHFFFAOYSA-N
XLogP16.39
TPSA262.71 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001380.21
LogP ≤ 516.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid with MolForge

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Related Compounds

2-Methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxylic acid
CID 157037779
3-Fluoro-5-[[6-(1-methylindol-6-yl)indazol-1-yl]methyl]benzoic acid
CID 145999003
3-Fluoro-5-[[6-(1-methylindazol-6-yl)indol-1-yl]methyl]benzoic acid
CID 146000084
3-Fluoro-5-[[6-(2-methylindazol-6-yl)indol-1-yl]methyl]benzoic acid
CID 155525776
4-[3-[2-[6-[[1-Tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]indol-1-yl]ethyl]pyrrolidin-1-yl]benzoic acid
CID 25099962
4-[3-[2-[6-[[1-Tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylindol-1-yl]ethyl]pyrrolidin-1-yl]benzoic acid
CID 25100115
1-Methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid
CID 57943235
1-Methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide
CID 57943246
Methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate
CID 57943253
1-[1-[3,3,3-Trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-2-hydroxypropyl]indol-3-yl]ethanone
CID 57943468
Methyl 1-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-2-hydroxypropyl]indole-5-carboxylate
CID 57943697
Methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-6-carboxylate
CID 57943739

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid?
The IUPAC name of 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid (CID 159791665) is 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid.
What is the SMILES notation for 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid?
The canonical SMILES for 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid is Cc1cn(-c2ccc(F)c(F)c2)c2ccc(C(=O)O)cc12.O=C(O)c1ccc2c(cnn2-c2ccc(C(F)(F)F)cc2)c1.O=C(O)c1ccc2c(cnn2-c2ccc(F)c(F)c2)c1.O=C(O)c1ccc2c(cnn2-c2ccc(F)cc2)c1.O=C(O)c1ccc2c(cnn2-c2cccc(F)c2)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid?
The InChIKey is NIQFRVSHKFYCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2.C15H9F3N2O2.C14H8F2N2O2.2C14H9FN2O2/c1-9-8-19(11-3-4-13(17)14(18)7-11)15-5-2-10(16(20)21)6-12(9)15;16-15(17,18)11-2-4-12(5-3-11)20-13-6-1-9(14(21)22)7-10(13)8-19-20;15-11-3-2-10(6-12(11)16)18-13-4-1-8(14(19)20)5-9(13)7-17-18;15-11-2-4-12(5-3-11)17-13-6-1-9(14(18)19)7-10(13)8-16-17;15-11-2-1-3-12(7-11)17-13-5-4-9(14(18)19)6-10(13)8-16-17/h2-8H,1H3,(H,20,21);1-8H,(H,21,22);1-7H,(H,19,20);2*1-8H,(H,18,19).
What are the key properties of 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid?
1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid has a molecular weight of 1380.21 g/mol, XLogP of 16.39, 10 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid is sourced from PubChem (CID 159791665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).