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

C96H69F4N13O18 — CID 157222461

IUPAC6-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
SMILESCC(=O)Nc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)O.COc1c(C(=O)O)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)O)ccc2n[nH]c(-c3ccc4ccccc4c3)c12.COc1cc(C(=O)O)cc2c(-c3cccc(F)c3)n[nH]c12.Cc1cc(C(=O)O)cc2c(-c3cccc(F)c3)[nH]nc12.O=C(O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1O
InChIInChI=1S/C19H14N2O3.C17H12N2O4.C16H12FN3O3.C15H11FN2O3.C15H11FN2O2.C14H9FN2O3/c1-24-18-14(19(22)23)8-9-15-16(18)17(21-20-15)13-7-6-11-4-2-3-5-12(11)10-13;1-22-16-10(17(20)21)6-7-11-14(16)15(19-18-11)13-8-9-4-2-3-5-12(9)23-13;1-8(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;15-8-3-1-2-7(4-8)13-9-5-10(14(19)20)12(18)6-11(9)16-17-13/h2-10H,1H3,(H,20,21)(H,22,23);2-8H,1H3,(H,18,19)(H,20,21);2-7H,1H3,(H,18,21)(H,19,20)(H,22,23);2-7H,1H3,(H,17,18)(H,19,20);2-7H,1H3,(H,17,18)(H,19,20);1-6,18H,(H,16,17)(H,19,20)
InChIKeyATDPGXIPFKVSDR-UHFFFAOYSA-N
MW1768.67 g/mol
LogP20.02
Rot. Bonds16

About 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

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 (PubChem CID 157222461) has the molecular formula C96H69F4N13O18 and a molecular weight of 1768.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID157222461
Molecular FormulaC96H69F4N13O18
Molecular Weight1768.67 g/mol
Exact Mass1767.48
IUPAC Name6-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
SMILESCC(=O)Nc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)O.COc1c(C(=O)O)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)O)ccc2n[nH]c(-c3ccc4ccccc4c3)c12.COc1cc(C(=O)O)cc2c(-c3cccc(F)c3)n[nH]c12.Cc1cc(C(=O)O)cc2c(-c3cccc(F)c3)[nH]nc12.O=C(O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1O
InChIInChI=1S/C19H14N2O3.C17H12N2O4.C16H12FN3O3.C15H11FN2O3.C15H11FN2O2.C14H9FN2O3/c1-24-18-14(19(22)23)8-9-15-16(18)17(21-20-15)13-7-6-11-4-2-3-5-12(11)10-13;1-22-16-10(17(20)21)6-7-11-14(16)15(19-18-11)13-8-9-4-2-3-5-12(9)23-13;1-8(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;15-8-3-1-2-7(4-8)13-9-5-10(14(19)20)12(18)6-11(9)16-17-13/h2-10H,1H3,(H,20,21)(H,22,23);2-8H,1H3,(H,18,19)(H,20,21);2-7H,1H3,(H,18,21)(H,19,20)(H,22,23);2-7H,1H3,(H,17,18)(H,19,20);2-7H,1H3,(H,17,18)(H,19,20);1-6,18H,(H,16,17)(H,19,20)
InChIKeyATDPGXIPFKVSDR-UHFFFAOYSA-N
XLogP20.02
TPSA486.04 Ų
H-Bond Donors14
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001768.67
LogP ≤ 520.02
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

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
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-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)O.COc1c(C(=O)O)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)O)ccc2n[nH]c(-c3ccc4ccccc4c3)c12.COc1cc(C(=O)O)cc2c(-c3cccc(F)c3)n[nH]c12.Cc1cc(C(=O)O)cc2c(-c3cccc(F)c3)[nH]nc12.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;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?
The InChIKey is ATDPGXIPFKVSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3.C17H12N2O4.C16H12FN3O3.C15H11FN2O3.C15H11FN2O2.C14H9FN2O3/c1-24-18-14(19(22)23)8-9-15-16(18)17(21-20-15)13-7-6-11-4-2-3-5-12(11)10-13;1-22-16-10(17(20)21)6-7-11-14(16)15(19-18-11)13-8-9-4-2-3-5-12(9)23-13;1-8(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;15-8-3-1-2-7(4-8)13-9-5-10(14(19)20)12(18)6-11(9)16-17-13/h2-10H,1H3,(H,20,21)(H,22,23);2-8H,1H3,(H,18,19)(H,20,21);2-7H,1H3,(H,18,21)(H,19,20)(H,22,23);2-7H,1H3,(H,17,18)(H,19,20);2-7H,1H3,(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;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?
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 has a molecular weight of 1768.67 g/mol, XLogP of 20.02, 16 rotatable bonds, 14 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157222461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).