[3-(1-benzothiophen-2-yl)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine

C96H68F8N16O4S2 — CID 157246737

IUPAC[3-(1-benzothiophen-2-yl)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;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.NCc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.NCc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.NCc1cc2c(-c3cccc(F)c3)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/C18H14FN3.C18H11FN2O2.2C16H12FN3S.C14H11F2N3.C14H8F2N2O2/c19-16-9-17-15(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;17-12-7-13-11(5-10(12)8-18)16(20-19-13)15-6-9-3-1-2-4-14(9)21-15;15-10-3-1-2-8(4-10)14-11-5-9(7-17)12(16)6-13(11)18-19-14;15-9-3-1-2-7(4-9)12-10-5-8(14(19)20)6-11(16)13(10)18-17-12/h1-9H,10,20H2,(H,21,22);1-9H,(H,20,21)(H,22,23);2-8H,18H2,1H3;1-7H,8,18H2,(H,19,20);1-6H,7,17H2,(H,18,19);1-6H,(H,17,18)(H,19,20)
InChIKeyAVWBYJMTKWLAEJ-UHFFFAOYSA-N
MW1725.83 g/mol
LogP22.59
Rot. Bonds11

About [3-(1-benzothiophen-2-yl)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;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)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine (PubChem CID 157246737) has the molecular formula C96H68F8N16O4S2 and a molecular weight of 1725.83 g/mol. Its IUPAC name is [3-(1-benzothiophen-2-yl)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;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 Name[3-(1-benzothiophen-2-yl)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine
PubChem CID157246737
Molecular FormulaC96H68F8N16O4S2
Molecular Weight1725.83 g/mol
Exact Mass1724.49
IUPAC Name[3-(1-benzothiophen-2-yl)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;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.NCc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.NCc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.NCc1cc2c(-c3cccc(F)c3)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/C18H14FN3.C18H11FN2O2.2C16H12FN3S.C14H11F2N3.C14H8F2N2O2/c19-16-9-17-15(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;17-12-7-13-11(5-10(12)8-18)16(20-19-13)15-6-9-3-1-2-4-14(9)21-15;15-10-3-1-2-8(4-10)14-11-5-9(7-17)12(16)6-13(11)18-19-14;15-9-3-1-2-7(4-9)12-10-5-8(14(19)20)6-11(16)13(10)18-17-12/h1-9H,10,20H2,(H,21,22);1-9H,(H,20,21)(H,22,23);2-8H,18H2,1H3;1-7H,8,18H2,(H,19,20);1-6H,7,17H2,(H,18,19);1-6H,(H,17,18)(H,19,20)
InChIKeyAVWBYJMTKWLAEJ-UHFFFAOYSA-N
XLogP22.59
TPSA339.90 Ų
H-Bond Donors11
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001725.83
LogP ≤ 522.59
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze [3-(1-benzothiophen-2-yl)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;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)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;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)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxylic acid;(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanamine (CID 157246737) is [3-(1-benzothiophen-2-yl)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;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)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;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)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;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.NCc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.NCc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.NCc1cc2c(-c3cccc(F)c3)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)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;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 AVWBYJMTKWLAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3.C18H11FN2O2.2C16H12FN3S.C14H11F2N3.C14H8F2N2O2/c19-16-9-17-15(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;17-12-7-13-11(5-10(12)8-18)16(20-19-13)15-6-9-3-1-2-4-14(9)21-15;15-10-3-1-2-8(4-10)14-11-5-9(7-17)12(16)6-13(11)18-19-14;15-9-3-1-2-7(4-9)12-10-5-8(14(19)20)6-11(16)13(10)18-17-12/h1-9H,10,20H2,(H,21,22);1-9H,(H,20,21)(H,22,23);2-8H,18H2,1H3;1-7H,8,18H2,(H,19,20);1-6H,7,17H2,(H,18,19);1-6H,(H,17,18)(H,19,20).
What are the key properties of [3-(1-benzothiophen-2-yl)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;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)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;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 1725.83 g/mol, XLogP of 22.59, 11 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzothiophen-2-yl)-6-fluoro-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;[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanamine;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 157246737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).