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

C100H77F7N18O7S — CID 158041503

About 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

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 (PubChem CID 158041503) has the molecular formula C100H77F7N18O7S and a molecular weight of 1807.89 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158041503
• Molecular Formula: C100H77F7N18O7S
• Molecular Weight: 1807.89 g/mol
• Exact Mass: 1806.58
• IUPAC Name: 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
• SMILES: COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1N.COc1cccc(C(=O)NCc2cc3c(-c4cccc(F)c4)n[nH]c3cc2OC)c1.Nc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.Nc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.Nc1cc2c(-c3cccc(F)c3)n[nH]c2cc1F.O=C(O)c1c(NC(=O)C2CC2)ccc2[nH]nc(-c3cccc(F)c3)c12
• InChI: InChI=1S/C23H20FN3O3.C18H14FN3O3.C17H12FN3.C15H10FN3S.C14H12FN3O.C13H9F2N3/c1-29-18-8-4-6-15(10-18)23(28)25-13-16-11-19-20(12-21(16)30-2)26-27-22(19)14-5-3-7-17(24)9-14;19-11-3-1-2-10(8-11)16-14-13(21-22-16)7-6-12(15(14)18(24)25)20-17(23)9-4-5-9;18-14-9-16-13(8-15(14)19)17(21-20-16)12-6-5-10-3-1-2-4-11(10)7-12;16-10-7-12-9(6-11(10)17)15(19-18-12)14-5-8-3-1-2-4-13(8)20-14;1-19-13-7-12-10(6-11(13)16)14(18-17-12)8-3-2-4-9(15)5-8;14-8-3-1-2-7(4-8)13-9-5-11(16)10(15)6-12(9)17-18-13/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27);1-3,6-9H,4-5H2,(H,20,23)(H,21,22)(H,24,25);1-9H,19H2,(H,20,21);1-7H,17H2,(H,18,19);2-7H,16H2,1H3,(H,17,18);1-6H,16H2,(H,17,18)
• InChIKey: FIKFZGVPPOUPLT-UHFFFAOYSA-N
• XLogP: 22.05
• TPSA: 399.35 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1807.89
LogP ≤ 5	22.05
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1N.COc1cccc(C(=O)NCc2cc3c(-c4cccc(F)c4)n[nH]c3cc2OC)c1.Nc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.Nc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.Nc1cc2c(-c3cccc(F)c3)n[nH]c2cc1F.O=C(O)c1c(NC(=O)C2CC2)ccc2[nH]nc(-c3cccc(F)c3)c12.

What is the InChIKey of 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?

The InChIKey is FIKFZGVPPOUPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3.C18H14FN3O3.C17H12FN3.C15H10FN3S.C14H12FN3O.C13H9F2N3/c1-29-18-8-4-6-15(10-18)23(28)25-13-16-11-19-20(12-21(16)30-2)26-27-22(19)14-5-3-7-17(24)9-14;19-11-3-1-2-10(8-11)16-14-13(21-22-16)7-6-12(15(14)18(24)25)20-17(23)9-4-5-9;18-14-9-16-13(8-15(14)19)17(21-20-16)12-6-5-10-3-1-2-4-11(10)7-12;16-10-7-12-9(6-11(10)17)15(19-18-12)14-5-8-3-1-2-4-13(8)20-14;1-19-13-7-12-10(6-11(13)16)14(18-17-12)8-3-2-4-9(15)5-8;14-8-3-1-2-7(4-8)13-9-5-11(16)10(15)6-12(9)17-18-13/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27);1-3,6-9H,4-5H2,(H,20,23)(H,21,22)(H,24,25);1-9H,19H2,(H,20,21);1-7H,17H2,(H,18,19);2-7H,16H2,1H3,(H,17,18);1-6H,16H2,(H,17,18).

What are the key properties of 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?

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 has a molecular weight of 1807.89 g/mol, XLogP of 22.05, 15 rotatable bonds, 13 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158041503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).