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

C84H59F6N13O4S — CID 158415217

IUPAC3-(1-benzothiophen-2-yl)-4-fluoro-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxylic acid;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine
SMILESCn1nc(-c2cc3ccccc3s2)c2c(F)c(N)ccc21.Cn1nc(-c2ccc3ccccc3c2)c2c(F)c(N)ccc21.NCc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.O=C(O)c1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1.O=C(O)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1
InChIInChI=1S/2C18H14FN3.C18H11FN2O2.C16H12FN3S.C14H8F2N2O2/c1-22-15-9-8-14(20)17(19)16(15)18(21-22)13-7-6-11-4-2-3-5-12(11)10-13;19-16-9-17-15(8-14(16)10-20)18(22-21-17)13-6-5-11-3-1-2-4-12(11)7-13;19-15-9-13(18(22)23)8-14-16(20-21-17(14)15)12-6-5-10-3-1-2-4-11(10)7-12;1-20-11-7-6-10(18)15(17)14(11)16(19-20)13-8-9-4-2-3-5-12(9)21-13;15-9-3-1-2-7(4-9)12-10-5-8(14(19)20)6-11(16)13(10)18-17-12/h2-10H,20H2,1H3;1-9H,10,20H2,(H,21,22);1-9H,(H,20,21)(H,22,23);2-8H,18H2,1H3;1-6H,(H,17,18)(H,19,20)
InChIKeyGZURAVSNVZADII-UHFFFAOYSA-N
MW1460.54 g/mol
LogP19.70
Rot. Bonds8

About 3-(1-benzothiophen-2-yl)-4-fluoro-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxylic acid;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine

3-(1-benzothiophen-2-yl)-4-fluoro-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxylic acid;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine (PubChem CID 158415217) has the molecular formula C84H59F6N13O4S and a molecular weight of 1460.54 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-4-fluoro-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxylic acid;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-4-fluoro-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxylic acid;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine
PubChem CID158415217
Molecular FormulaC84H59F6N13O4S
Molecular Weight1460.54 g/mol
Exact Mass1459.44
IUPAC Name3-(1-benzothiophen-2-yl)-4-fluoro-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxylic acid;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine
SMILESCn1nc(-c2cc3ccccc3s2)c2c(F)c(N)ccc21.Cn1nc(-c2ccc3ccccc3c2)c2c(F)c(N)ccc21.NCc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.O=C(O)c1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1.O=C(O)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1
InChIInChI=1S/2C18H14FN3.C18H11FN2O2.C16H12FN3S.C14H8F2N2O2/c1-22-15-9-8-14(20)17(19)16(15)18(21-22)13-7-6-11-4-2-3-5-12(11)10-13;19-16-9-17-15(8-14(16)10-20)18(22-21-17)13-6-5-11-3-1-2-4-12(11)7-13;19-15-9-13(18(22)23)8-14-16(20-21-17(14)15)12-6-5-10-3-1-2-4-11(10)7-12;1-20-11-7-6-10(18)15(17)14(11)16(19-20)13-8-9-4-2-3-5-12(9)21-13;15-9-3-1-2-7(4-9)12-10-5-8(14(19)20)6-11(16)13(10)18-17-12/h2-10H,20H2,1H3;1-9H,10,20H2,(H,21,22);1-9H,(H,20,21)(H,22,23);2-8H,18H2,1H3;1-6H,(H,17,18)(H,19,20)
InChIKeyGZURAVSNVZADII-UHFFFAOYSA-N
XLogP19.70
TPSA274.34 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001460.54
LogP ≤ 519.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 3-(1-benzothiophen-2-yl)-4-fluoro-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxylic acid;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-4-fluoro-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxylic acid;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-4-fluoro-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxylic acid;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine (CID 158415217) is 3-(1-benzothiophen-2-yl)-4-fluoro-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxylic acid;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-4-fluoro-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxylic acid;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-4-fluoro-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxylic acid;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine is Cn1nc(-c2cc3ccccc3s2)c2c(F)c(N)ccc21.Cn1nc(-c2ccc3ccccc3c2)c2c(F)c(N)ccc21.NCc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.O=C(O)c1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1.O=C(O)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-4-fluoro-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxylic acid;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine?
The InChIKey is GZURAVSNVZADII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14FN3.C18H11FN2O2.C16H12FN3S.C14H8F2N2O2/c1-22-15-9-8-14(20)17(19)16(15)18(21-22)13-7-6-11-4-2-3-5-12(11)10-13;19-16-9-17-15(8-14(16)10-20)18(22-21-17)13-6-5-11-3-1-2-4-12(11)7-13;19-15-9-13(18(22)23)8-14-16(20-21-17(14)15)12-6-5-10-3-1-2-4-11(10)7-12;1-20-11-7-6-10(18)15(17)14(11)16(19-20)13-8-9-4-2-3-5-12(9)21-13;15-9-3-1-2-7(4-9)12-10-5-8(14(19)20)6-11(16)13(10)18-17-12/h2-10H,20H2,1H3;1-9H,10,20H2,(H,21,22);1-9H,(H,20,21)(H,22,23);2-8H,18H2,1H3;1-6H,(H,17,18)(H,19,20).
What are the key properties of 3-(1-benzothiophen-2-yl)-4-fluoro-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxylic acid;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine?
3-(1-benzothiophen-2-yl)-4-fluoro-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxylic acid;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine has a molecular weight of 1460.54 g/mol, XLogP of 19.70, 8 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-4-fluoro-1-methylindazol-5-amine;7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxylic acid;4-fluoro-1-methyl-3-naphthalen-2-ylindazol-5-amine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine is sourced from PubChem (CID 158415217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).