1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid

C71H46F7N11O11 — CID 158912201

IUPAC1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
SMILESCOc1cc(-n2ncc3cc(C(=O)O)ccc32)ccn1.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/C15H9F3N2O2.C14H8F2N2O2.2C14H9FN2O2.C14H11N3O3/c16-15(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;1-20-13-7-11(4-5-15-13)17-12-3-2-9(14(18)19)6-10(12)8-16-17/h1-8H,(H,21,22);1-7H,(H,19,20);2*1-8H,(H,18,19);2-8H,1H3,(H,18,19)
InChIKeyJGUFKSRSHZEJKF-UHFFFAOYSA-N
MW1362.20 g/mol
LogP14.60
Rot. Bonds11

About 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid

1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid (PubChem CID 158912201) has the molecular formula C71H46F7N11O11 and a molecular weight of 1362.20 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)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-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
PubChem CID158912201
Molecular FormulaC71H46F7N11O11
Molecular Weight1362.20 g/mol
Exact Mass1361.33
IUPAC Name1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
SMILESCOc1cc(-n2ncc3cc(C(=O)O)ccc32)ccn1.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/C15H9F3N2O2.C14H8F2N2O2.2C14H9FN2O2.C14H11N3O3/c16-15(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;1-20-13-7-11(4-5-15-13)17-12-3-2-9(14(18)19)6-10(12)8-16-17/h1-8H,(H,21,22);1-7H,(H,19,20);2*1-8H,(H,18,19);2-8H,1H3,(H,18,19)
InChIKeyJGUFKSRSHZEJKF-UHFFFAOYSA-N
XLogP14.60
TPSA297.72 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001362.20
LogP ≤ 514.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid with MolForge

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Related Compounds

6-[7-(3-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 157100372
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
3-[[5-(1,1-Difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 157265888
1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 157275312
6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2,5-dimethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2,6-dimethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(5-methoxy-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-methoxy-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-5-(trifluoromethoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 157363888
1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-3-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 157454685
1-[2-(4-Fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 157552402
Bis(3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid);3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid)
CID 157568205
1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-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-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 157686472
4-[4-[3-(1,1-Difluoroethoxy)phenyl]pyrazol-1-yl]benzoic acid;3-[4-(3-methylphenyl)pyrazol-1-yl]benzoic acid;4-[4-(3-methylphenyl)pyrazol-1-yl]benzoic acid;3-[4-(3-phenoxyphenyl)pyrazol-1-yl]benzoic acid;4-[4-(3-phenoxyphenyl)pyrazol-1-yl]benzoic acid
CID 157693493
3-[1-[3-(1,1-Difluoroethoxy)phenyl]pyrazol-4-yl]benzoic acid;4-[1-[3-(1,1-difluoroethoxy)phenyl]pyrazol-4-yl]benzoic acid;3-[3-(3-methoxyphenyl)pyrazol-1-yl]benzoic acid;4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzoic acid;4-[3-(4-methoxyphenyl)pyrazol-1-yl]benzoic acid;4-(3-phenylpyrazol-1-yl)benzoic acid
CID 157703343
1-(2,5-Difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
CID 157710840

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)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-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid (CID 158912201) is 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)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-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)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-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid is COc1cc(-n2ncc3cc(C(=O)O)ccc32)ccn1.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-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid?
The InChIKey is JGUFKSRSHZEJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2.C14H8F2N2O2.2C14H9FN2O2.C14H11N3O3/c16-15(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;1-20-13-7-11(4-5-15-13)17-12-3-2-9(14(18)19)6-10(12)8-16-17/h1-8H,(H,21,22);1-7H,(H,19,20);2*1-8H,(H,18,19);2-8H,1H3,(H,18,19).
What are the key properties of 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid?
1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid has a molecular weight of 1362.20 g/mol, XLogP of 14.60, 11 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid is sourced from PubChem (CID 158912201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).