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

C73H50F6N10O11 — CID 157454685

IUPAC1-(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
SMILESCOc1cc(-n2ccc3cc(C(=O)O)ccc32)ccn1.Cc1ccc(-n2ccc3cc(C(=O)O)ccc32)cn1.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-c2cccc(F)c2)c1
InChIInChI=1S/C15H9F3N2O2.C15H12N2O3.C15H12N2O2.C14H8F2N2O2.C14H9FN2O2/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;1-20-14-9-12(4-6-16-14)17-7-5-10-8-11(15(18)19)2-3-13(10)17;1-10-2-4-13(9-16-10)17-7-6-11-8-12(15(18)19)3-5-14(11)17;15-11-3-2-10(6-12(11)16)18-13-4-1-8(14(19)20)5-9(13)7-17-18;15-11-2-1-3-12(7-11)17-13-5-4-9(14(18)19)6-10(13)8-16-17/h1-8H,(H,21,22);2-9H,1H3,(H,18,19);2-9H,1H3,(H,18,19);1-7H,(H,19,20);1-8H,(H,18,19)
InChIKeyBTFHPADFNKJUAO-UHFFFAOYSA-N
MW1357.25 g/mol
LogP15.37
Rot. Bonds11

About 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

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 (PubChem CID 157454685) has the molecular formula C73H50F6N10O11 and a molecular weight of 1357.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID157454685
Molecular FormulaC73H50F6N10O11
Molecular Weight1357.25 g/mol
Exact Mass1356.36
IUPAC Name1-(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
SMILESCOc1cc(-n2ccc3cc(C(=O)O)ccc32)ccn1.Cc1ccc(-n2ccc3cc(C(=O)O)ccc32)cn1.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-c2cccc(F)c2)c1
InChIInChI=1S/C15H9F3N2O2.C15H12N2O3.C15H12N2O2.C14H8F2N2O2.C14H9FN2O2/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;1-20-14-9-12(4-6-16-14)17-7-5-10-8-11(15(18)19)2-3-13(10)17;1-10-2-4-13(9-16-10)17-7-6-11-8-12(15(18)19)3-5-14(11)17;15-11-3-2-10(6-12(11)16)18-13-4-1-8(14(19)20)5-9(13)7-17-18;15-11-2-1-3-12(7-11)17-13-5-4-9(14(18)19)6-10(13)8-16-17/h1-8H,(H,21,22);2-9H,1H3,(H,18,19);2-9H,1H3,(H,18,19);1-7H,(H,19,20);1-8H,(H,18,19)
InChIKeyBTFHPADFNKJUAO-UHFFFAOYSA-N
XLogP15.37
TPSA284.83 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001357.25
LogP ≤ 515.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 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 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-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
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
1-(5-Fluoro-2-pyridinyl)indole-5-carboxylic acid;1-(6-methoxy-3-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)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-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158411968
Methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid
CID 158469442
3-[[1-(Cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;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-[[5-fluoro-1-(3-methoxypropyl)indazol-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
CID 158553357
3-[[1-[5-(Dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 158802724
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-pyridin-4-ylindole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 158879236

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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(-n2ccc3cc(C(=O)O)ccc32)ccn1.Cc1ccc(-n2ccc3cc(C(=O)O)ccc32)cn1.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-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-(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?
The InChIKey is BTFHPADFNKJUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2.C15H12N2O3.C15H12N2O2.C14H8F2N2O2.C14H9FN2O2/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;1-20-14-9-12(4-6-16-14)17-7-5-10-8-11(15(18)19)2-3-13(10)17;1-10-2-4-13(9-16-10)17-7-6-11-8-12(15(18)19)3-5-14(11)17;15-11-3-2-10(6-12(11)16)18-13-4-1-8(14(19)20)5-9(13)7-17-18;15-11-2-1-3-12(7-11)17-13-5-4-9(14(18)19)6-10(13)8-16-17/h1-8H,(H,21,22);2-9H,1H3,(H,18,19);2-9H,1H3,(H,18,19);1-7H,(H,19,20);1-8H,(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-(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?
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 has a molecular weight of 1357.25 g/mol, XLogP of 15.37, 11 rotatable bonds, 5 hydrogen bond donors, and 16 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-(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 is sourced from PubChem (CID 157454685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).