3-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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

C99H66N16O13S — CID 160603627

IUPAC3-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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(-c3ccnc4ccccc34)c2c1.O=C(O)c1ccc2[nH]nc(-c3cnc4ccccc4c3)c2c1.O=C(O)c1ccc2[nH]nc(-c3nc4ccccc4s3)c2c1
InChIInChI=1S/C18H12N2O2.3C17H11N3O2.C15H9N3O2S.C15H12N2O3/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;19-15(20)8-5-6-10-9(7-8)13(18-17-10)14-16-11-3-1-2-4-12(11)21-14;1-20-13-5-3-2-4-10(13)14-11-8-9(15(18)19)6-7-12(11)16-17-14/h1-10H,(H,19,20)(H,21,22);3*1-9H,(H,19,20)(H,21,22);1-7H,(H,17,18)(H,19,20);2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyREPCRXMIDVAACG-UHFFFAOYSA-N
MW1719.78 g/mol
LogP20.98
Rot. Bonds13

About 3-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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 160603627) has the molecular formula C99H66N16O13S and a molecular weight of 1719.78 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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 CID160603627
Molecular FormulaC99H66N16O13S
Molecular Weight1719.78 g/mol
Exact Mass1718.47
IUPAC Name3-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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(-c3ccnc4ccccc34)c2c1.O=C(O)c1ccc2[nH]nc(-c3cnc4ccccc4c3)c2c1.O=C(O)c1ccc2[nH]nc(-c3nc4ccccc4s3)c2c1
InChIInChI=1S/C18H12N2O2.3C17H11N3O2.C15H9N3O2S.C15H12N2O3/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;19-15(20)8-5-6-10-9(7-8)13(18-17-10)14-16-11-3-1-2-4-12(11)21-14;1-20-13-5-3-2-4-10(13)14-11-8-9(15(18)19)6-7-12(11)16-17-14/h1-10H,(H,19,20)(H,21,22);3*1-9H,(H,19,20)(H,21,22);1-7H,(H,17,18)(H,19,20);2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyREPCRXMIDVAACG-UHFFFAOYSA-N
XLogP20.98
TPSA456.67 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms129
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001719.78
LogP ≤ 520.98
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze 3-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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 160603627) is 3-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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(-c3ccnc4ccccc34)c2c1.O=C(O)c1ccc2[nH]nc(-c3cnc4ccccc4c3)c2c1.O=C(O)c1ccc2[nH]nc(-c3nc4ccccc4s3)c2c1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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 REPCRXMIDVAACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2.3C17H11N3O2.C15H9N3O2S.C15H12N2O3/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;19-15(20)8-5-6-10-9(7-8)13(18-17-10)14-16-11-3-1-2-4-12(11)21-14;1-20-13-5-3-2-4-10(13)14-11-8-9(15(18)19)6-7-12(11)16-17-14/h1-10H,(H,19,20)(H,21,22);3*1-9H,(H,19,20)(H,21,22);1-7H,(H,17,18)(H,19,20);2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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 1719.78 g/mol, XLogP of 20.98, 13 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-1H-indazole-5-carboxylic acid;3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-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 160603627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).