3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine

C91H67BrF8N16O5S — CID 160998291

IUPAC3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine
SMILESCOc1c(N)ccc2c1c(-c1cccc(F)c1)nn2C.Cn1nc(-c2cccc(F)c2)c2c(Br)c(N)ccc21.Cn1nc(-c2cccc(F)c2)c2c(F)c(N)ccc21.Cn1nc(-c2cccc(F)c2)c2cc(N)c(F)cc21.O=C(O)c1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.O=C(O)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F
InChIInChI=1S/C18H11FN2O2.C16H9FN2O2S.C15H14FN3O.C14H11BrFN3.2C14H11F2N3/c19-15-9-16-14(8-13(15)18(22)23)17(21-20-16)12-6-5-10-3-1-2-4-11(10)7-12;17-11-7-12-10(6-9(11)16(20)21)15(19-18-12)14-5-8-3-1-2-4-13(8)22-14;1-19-12-7-6-11(17)15(20-2)13(12)14(18-19)9-4-3-5-10(16)8-9;1-19-11-6-5-10(17)13(15)12(11)14(18-19)8-3-2-4-9(16)7-8;1-19-13-7-11(16)12(17)6-10(13)14(18-19)8-3-2-4-9(15)5-8;1-19-11-6-5-10(17)13(16)12(11)14(18-19)8-3-2-4-9(15)7-8/h1-9H,(H,20,21)(H,22,23);1-7H,(H,18,19)(H,20,21);3-8H,17H2,1-2H3;3*2-7H,17H2,1H3
InChIKeyTVNNKJVGJSRUJL-UHFFFAOYSA-N
MW1728.60 g/mol
LogP21.40
Rot. Bonds9

About 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine

3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine (PubChem CID 160998291) has the molecular formula C91H67BrF8N16O5S and a molecular weight of 1728.60 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine
PubChem CID160998291
Molecular FormulaC91H67BrF8N16O5S
Molecular Weight1728.60 g/mol
Exact Mass1726.43
IUPAC Name3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine
SMILESCOc1c(N)ccc2c1c(-c1cccc(F)c1)nn2C.Cn1nc(-c2cccc(F)c2)c2c(Br)c(N)ccc21.Cn1nc(-c2cccc(F)c2)c2c(F)c(N)ccc21.Cn1nc(-c2cccc(F)c2)c2cc(N)c(F)cc21.O=C(O)c1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.O=C(O)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F
InChIInChI=1S/C18H11FN2O2.C16H9FN2O2S.C15H14FN3O.C14H11BrFN3.2C14H11F2N3/c19-15-9-16-14(8-13(15)18(22)23)17(21-20-16)12-6-5-10-3-1-2-4-11(10)7-12;17-11-7-12-10(6-9(11)16(20)21)15(19-18-12)14-5-8-3-1-2-4-13(8)22-14;1-19-12-7-6-11(17)15(20-2)13(12)14(18-19)9-4-3-5-10(16)8-9;1-19-11-6-5-10(17)13(15)12(11)14(18-19)8-3-2-4-9(16)7-8;1-19-13-7-11(16)12(17)6-10(13)14(18-19)8-3-2-4-9(15)5-8;1-19-11-6-5-10(17)13(16)12(11)14(18-19)8-3-2-4-9(15)7-8/h1-9H,(H,20,21)(H,22,23);1-7H,(H,18,19)(H,20,21);3-8H,17H2,1-2H3;3*2-7H,17H2,1H3
InChIKeyTVNNKJVGJSRUJL-UHFFFAOYSA-N
XLogP21.40
TPSA316.55 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001728.60
LogP ≤ 521.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine with MolForge

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Related Compounds

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-(1-benzofuran-2-yl)-4-propoxy-1H-indazole-5-carboxylic acid;3-(1-benzothiophen-2-yl)-4-methoxy-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;7-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;4-methoxy-1-methyl-3-naphthalen-2-ylindazol-5-amine
CID 161599854
3-(1-benzofuran-2-yl)-4-fluoro-1-methylindazol-5-amine;3-(1-benzothiophen-2-yl)-6-methoxy-1H-indazole-5-carboxylic acid;3-(1-benzothiophen-2-yl)-4-methoxy-1-methylindazol-5-amine;(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)methanamine;6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid
CID 161792436

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine (CID 160998291) is 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine is COc1c(N)ccc2c1c(-c1cccc(F)c1)nn2C.Cn1nc(-c2cccc(F)c2)c2c(Br)c(N)ccc21.Cn1nc(-c2cccc(F)c2)c2c(F)c(N)ccc21.Cn1nc(-c2cccc(F)c2)c2cc(N)c(F)cc21.O=C(O)c1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.O=C(O)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine?
The InChIKey is TVNNKJVGJSRUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2.C16H9FN2O2S.C15H14FN3O.C14H11BrFN3.2C14H11F2N3/c19-15-9-16-14(8-13(15)18(22)23)17(21-20-16)12-6-5-10-3-1-2-4-11(10)7-12;17-11-7-12-10(6-9(11)16(20)21)15(19-18-12)14-5-8-3-1-2-4-13(8)22-14;1-19-12-7-6-11(17)15(20-2)13(12)14(18-19)9-4-3-5-10(16)8-9;1-19-11-6-5-10(17)13(15)12(11)14(18-19)8-3-2-4-9(16)7-8;1-19-13-7-11(16)12(17)6-10(13)14(18-19)8-3-2-4-9(15)5-8;1-19-11-6-5-10(17)13(16)12(11)14(18-19)8-3-2-4-9(15)7-8/h1-9H,(H,20,21)(H,22,23);1-7H,(H,18,19)(H,20,21);3-8H,17H2,1-2H3;3*2-7H,17H2,1H3.
What are the key properties of 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine?
3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine has a molecular weight of 1728.60 g/mol, XLogP of 21.40, 9 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole-5-carboxylic acid;4-bromo-3-(3-fluorophenyl)-1-methylindazol-5-amine;4-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-(3-fluorophenyl)-1-methylindazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-(3-fluorophenyl)-4-methoxy-1-methylindazol-5-amine is sourced from PubChem (CID 160998291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).