6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid

C89H62F7N13O15 — CID 162217665

IUPAC6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid
SMILESCC(=O)Nc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)O.COc1cc(C(=O)O)cc2c(-c3cccc(F)c3)n[nH]c12.Cc1cc(C(=O)O)cc2c(-c3cccc(F)c3)[nH]nc12.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)O.O=C(O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1F.O=C(O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1O
InChIInChI=1S/C16H12FN3O3.C15H11FN2O3.2C15H11FN2O2.C14H8F2N2O2.C14H9FN2O3/c1-8(21)18-13-7-14-11(6-12(13)16(22)23)15(20-19-14)9-3-2-4-10(17)5-9;1-21-12-7-9(15(19)20)6-11-13(17-18-14(11)12)8-3-2-4-10(16)5-8;1-8-5-10(15(19)20)7-12-13(8)17-18-14(12)9-3-2-4-11(16)6-9;1-8-5-13-12(7-11(8)15(19)20)14(18-17-13)9-3-2-4-10(16)6-9;15-8-3-1-2-7(4-8)13-10-5-9(14(19)20)11(16)6-12(10)17-18-13;15-8-3-1-2-7(4-8)13-9-5-10(14(19)20)12(18)6-11(9)16-17-13/h2-7H,1H3,(H,18,21)(H,19,20)(H,22,23);2-7H,1H3,(H,17,18)(H,19,20);2*2-7H,1H3,(H,17,18)(H,19,20);1-6H,(H,17,18)(H,19,20);1-6,18H,(H,16,17)(H,19,20)
InChIKeyZTRNLTABCQYRFB-UHFFFAOYSA-N
MW1686.54 g/mol
LogP18.83
Rot. Bonds14

About 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid

6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid (PubChem CID 162217665) has the molecular formula C89H62F7N13O15 and a molecular weight of 1686.54 g/mol. Its IUPAC name is 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid
PubChem CID162217665
Molecular FormulaC89H62F7N13O15
Molecular Weight1686.54 g/mol
Exact Mass1685.44
IUPAC Name6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid
SMILESCC(=O)Nc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)O.COc1cc(C(=O)O)cc2c(-c3cccc(F)c3)n[nH]c12.Cc1cc(C(=O)O)cc2c(-c3cccc(F)c3)[nH]nc12.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)O.O=C(O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1F.O=C(O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1O
InChIInChI=1S/C16H12FN3O3.C15H11FN2O3.2C15H11FN2O2.C14H8F2N2O2.C14H9FN2O3/c1-8(21)18-13-7-14-11(6-12(13)16(22)23)15(20-19-14)9-3-2-4-10(17)5-9;1-21-12-7-9(15(19)20)6-11-13(17-18-14(11)12)8-3-2-4-10(16)5-8;1-8-5-10(15(19)20)7-12-13(8)17-18-14(12)9-3-2-4-11(16)6-9;1-8-5-13-12(7-11(8)15(19)20)14(18-17-13)9-3-2-4-10(16)6-9;15-8-3-1-2-7(4-8)13-10-5-9(14(19)20)11(16)6-12(10)17-18-13;15-8-3-1-2-7(4-8)13-9-5-10(14(19)20)12(18)6-11(9)16-17-13/h2-7H,1H3,(H,18,21)(H,19,20)(H,22,23);2-7H,1H3,(H,17,18)(H,19,20);2*2-7H,1H3,(H,17,18)(H,19,20);1-6H,(H,17,18)(H,19,20);1-6,18H,(H,16,17)(H,19,20)
InChIKeyZTRNLTABCQYRFB-UHFFFAOYSA-N
XLogP18.83
TPSA454.44 Ų
H-Bond Donors14
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001686.54
LogP ≤ 518.83
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1015

Analyze 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid with MolForge

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Related Compounds

6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid;4-methoxy-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid
CID 157222461
4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxylic acid;5-[(3-methoxyphenoxy)methyl]-3-naphthalen-2-yl-1H-indazole;5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole;7-[(3-naphthalen-2-yl-1H-indazol-5-yl)methoxy]chromen-2-one
CID 157676895
N-cyclopropyl-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-1H-indazole-5-carboxamide
CID 158034769
3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazol-5-amine;3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-amine;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide
CID 158041503
3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide
CID 158878445
3-(1-benzofuran-2-yl)-4-propoxy-1H-indazole-5-carboxylic acid;7-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;4-methoxy-1-methyl-3-naphthalen-2-ylindazol-5-amine
CID 161529340
6-fluoro-3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide
CID 161690788

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid?
The IUPAC name of 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid (CID 162217665) is 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid?
The canonical SMILES for 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid is CC(=O)Nc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)O.COc1cc(C(=O)O)cc2c(-c3cccc(F)c3)n[nH]c12.Cc1cc(C(=O)O)cc2c(-c3cccc(F)c3)[nH]nc12.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)O.O=C(O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1F.O=C(O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1O.
What is the InChIKey of 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid?
The InChIKey is ZTRNLTABCQYRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3.C15H11FN2O3.2C15H11FN2O2.C14H8F2N2O2.C14H9FN2O3/c1-8(21)18-13-7-14-11(6-12(13)16(22)23)15(20-19-14)9-3-2-4-10(17)5-9;1-21-12-7-9(15(19)20)6-11-13(17-18-14(11)12)8-3-2-4-10(16)5-8;1-8-5-10(15(19)20)7-12-13(8)17-18-14(12)9-3-2-4-11(16)6-9;1-8-5-13-12(7-11(8)15(19)20)14(18-17-13)9-3-2-4-10(16)6-9;15-8-3-1-2-7(4-8)13-10-5-9(14(19)20)11(16)6-12(10)17-18-13;15-8-3-1-2-7(4-8)13-9-5-10(14(19)20)12(18)6-11(9)16-17-13/h2-7H,1H3,(H,18,21)(H,19,20)(H,22,23);2-7H,1H3,(H,17,18)(H,19,20);2*2-7H,1H3,(H,17,18)(H,19,20);1-6H,(H,17,18)(H,19,20);1-6,18H,(H,16,17)(H,19,20).
What are the key properties of 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid?
6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid has a molecular weight of 1686.54 g/mol, XLogP of 18.83, 14 rotatable bonds, 14 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-7-methyl-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 162217665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).