3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid

C97H66N16O13 — CID 158792396

IUPAC3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid
SMILESCOc1ccccc1-c1n[nH]c2ccc(C(=O)O)cc12.O=C(O)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.O=C(O)c1ccc2[nH]nc(-c3ccc4ccccc4n3)c2c1.O=C(O)c1ccc2[nH]nc(-c3cccnc3)c2c1.O=C(O)c1ccc2[nH]nc(-c3ccnc4ccccc34)c2c1.O=C(O)c1ccc2[nH]nc(-c3cnc4ccccc4c3)c2c1
InChIInChI=1S/C18H12N2O2.3C17H11N3O2.C15H12N2O3.C13H9N3O2/c21-18(22)14-7-8-16-15(10-14)17(20-19-16)13-6-5-11-3-1-2-4-12(11)9-13;21-17(22)11-6-7-14-12(9-11)16(20-19-14)15-8-5-10-3-1-2-4-13(10)18-15;21-17(22)11-5-6-15-13(8-11)16(20-19-15)12-7-10-3-1-2-4-14(10)18-9-12;21-17(22)10-5-6-15-13(9-10)16(20-19-15)12-7-8-18-14-4-2-1-3-11(12)14;1-20-13-5-3-2-4-10(13)14-11-8-9(15(18)19)6-7-12(11)16-17-14;17-13(18)8-3-4-11-10(6-8)12(16-15-11)9-2-1-5-14-7-9/h1-10H,(H,19,20)(H,21,22);3*1-9H,(H,19,20)(H,21,22);2-8H,1H3,(H,16,17)(H,18,19);1-7H,(H,15,16)(H,17,18)
InChIKeyISLBCJJMQLGZPO-UHFFFAOYSA-N
MW1663.69 g/mol
LogP19.77
Rot. Bonds13

About 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid

3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid (PubChem CID 158792396) has the molecular formula C97H66N16O13 and a molecular weight of 1663.69 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid
PubChem CID158792396
Molecular FormulaC97H66N16O13
Molecular Weight1663.69 g/mol
Exact Mass1662.50
IUPAC Name3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid
SMILESCOc1ccccc1-c1n[nH]c2ccc(C(=O)O)cc12.O=C(O)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.O=C(O)c1ccc2[nH]nc(-c3ccc4ccccc4n3)c2c1.O=C(O)c1ccc2[nH]nc(-c3cccnc3)c2c1.O=C(O)c1ccc2[nH]nc(-c3ccnc4ccccc34)c2c1.O=C(O)c1ccc2[nH]nc(-c3cnc4ccccc4c3)c2c1
InChIInChI=1S/C18H12N2O2.3C17H11N3O2.C15H12N2O3.C13H9N3O2/c21-18(22)14-7-8-16-15(10-14)17(20-19-16)13-6-5-11-3-1-2-4-12(11)9-13;21-17(22)11-6-7-14-12(9-11)16(20-19-14)15-8-5-10-3-1-2-4-13(10)18-15;21-17(22)11-5-6-15-13(8-11)16(20-19-15)12-7-10-3-1-2-4-14(10)18-9-12;21-17(22)10-5-6-15-13(9-10)16(20-19-15)12-7-8-18-14-4-2-1-3-11(12)14;1-20-13-5-3-2-4-10(13)14-11-8-9(15(18)19)6-7-12(11)16-17-14;17-13(18)8-3-4-11-10(6-8)12(16-15-11)9-2-1-5-14-7-9/h1-10H,(H,19,20)(H,21,22);3*1-9H,(H,19,20)(H,21,22);2-8H,1H3,(H,16,17)(H,18,19);1-7H,(H,15,16)(H,17,18)
InChIKeyISLBCJJMQLGZPO-UHFFFAOYSA-N
XLogP19.77
TPSA456.67 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001663.69
LogP ≤ 519.77
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Analyze 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid with MolForge

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Related Compounds

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
8-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-6-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157552135
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-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
CID 158414477
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
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
N-(1-benzylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide;benzyl 3,3-difluoro-5-[2-oxo-2-(3-pyridin-4-yl-1H-isoindol-5-yl)ethyl]piperidine-1-carboxylate;N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone
CID 159267533
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
CID 159836293
benzyl (5R)-3,3-difluoro-5-[4-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-1-yl]piperidine-1-carboxylate;5-[1-[(3R)-1-[[2-(1,1-difluoroethoxy)phenyl]methyl]piperidin-3-yl]triazol-4-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole;(5R)-1-[(2-fluoro-6-methylphenyl)methyl]-5-[4-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]triazol-1-yl]piperidin-2-one;(2-fluorophenyl)-[(3R)-3-[4-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 160179429
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 160382954
3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole;5-isocyano-4-methoxy-3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole;5-isocyano-4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-indazole
CID 161417873
7-(2-benzofuran-1-yl)-3-(1H-indazol-3-yl)-4-indolizin-1-yl-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-2-isoquinolin-1-ylquinoline
CID 141084270

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid (CID 158792396) is 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid is COc1ccccc1-c1n[nH]c2ccc(C(=O)O)cc12.O=C(O)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.O=C(O)c1ccc2[nH]nc(-c3ccc4ccccc4n3)c2c1.O=C(O)c1ccc2[nH]nc(-c3cccnc3)c2c1.O=C(O)c1ccc2[nH]nc(-c3ccnc4ccccc34)c2c1.O=C(O)c1ccc2[nH]nc(-c3cnc4ccccc4c3)c2c1.
What is the InChIKey of 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid?
The InChIKey is ISLBCJJMQLGZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2.3C17H11N3O2.C15H12N2O3.C13H9N3O2/c21-18(22)14-7-8-16-15(10-14)17(20-19-16)13-6-5-11-3-1-2-4-12(11)9-13;21-17(22)11-6-7-14-12(9-11)16(20-19-14)15-8-5-10-3-1-2-4-13(10)18-15;21-17(22)11-5-6-15-13(8-11)16(20-19-15)12-7-10-3-1-2-4-14(10)18-9-12;21-17(22)10-5-6-15-13(9-10)16(20-19-15)12-7-8-18-14-4-2-1-3-11(12)14;1-20-13-5-3-2-4-10(13)14-11-8-9(15(18)19)6-7-12(11)16-17-14;17-13(18)8-3-4-11-10(6-8)12(16-15-11)9-2-1-5-14-7-9/h1-10H,(H,19,20)(H,21,22);3*1-9H,(H,19,20)(H,21,22);2-8H,1H3,(H,16,17)(H,18,19);1-7H,(H,15,16)(H,17,18).
What are the key properties of 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid?
3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid has a molecular weight of 1663.69 g/mol, XLogP of 19.77, 13 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 158792396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).