7-(1-benzothiophen-2-yl)-1H-indazol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide

C35H24N6O2S2 — CID 157443284

About 7-(1-benzothiophen-2-yl)-1H-indazol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide

7-(1-benzothiophen-2-yl)-1H-indazol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide (PubChem CID 157443284) has the molecular formula C35H24N6O2S2 and a molecular weight of 624.75 g/mol. Its IUPAC name is 7-(1-benzothiophen-2-yl)-1H-indazol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 7-(1-benzothiophen-2-yl)-1H-indazol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide
• PubChem CID: 157443284
• Molecular Formula: C35H24N6O2S2
• Molecular Weight: 624.75 g/mol
• Exact Mass: 624.14
• IUPAC Name: 7-(1-benzothiophen-2-yl)-1H-indazol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide
• SMILES: Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1.O=C(Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1)c1ccco1
• InChI: InChI=1S/C20H13N3O2S.C15H11N3S/c24-20(16-5-3-7-25-16)22-14-8-13-11-21-23-19(13)15(10-14)18-9-12-4-1-2-6-17(12)26-18;16-11-5-10-8-17-18-15(10)12(7-11)14-6-9-3-1-2-4-13(9)19-14/h1-11H,(H,21,23)(H,22,24);1-8H,16H2,(H,17,18)
• InChIKey: BRXUBEKBUGYSEL-UHFFFAOYSA-N
• XLogP: 9.32
• TPSA: 125.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.75
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzothiophen-2-yl)-1H-indazol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide?

The IUPAC name of 7-(1-benzothiophen-2-yl)-1H-indazol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide (CID 157443284) is 7-(1-benzothiophen-2-yl)-1H-indazol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide.

What is the SMILES notation for 7-(1-benzothiophen-2-yl)-1H-indazol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide?

The canonical SMILES for 7-(1-benzothiophen-2-yl)-1H-indazol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide is Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1.O=C(Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1)c1ccco1.

What is the InChIKey of 7-(1-benzothiophen-2-yl)-1H-indazol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide?

The InChIKey is BRXUBEKBUGYSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2S.C15H11N3S/c24-20(16-5-3-7-25-16)22-14-8-13-11-21-23-19(13)15(10-14)18-9-12-4-1-2-6-17(12)26-18;16-11-5-10-8-17-18-15(10)12(7-11)14-6-9-3-1-2-4-13(9)19-14/h1-11H,(H,21,23)(H,22,24);1-8H,16H2,(H,17,18).

What are the key properties of 7-(1-benzothiophen-2-yl)-1H-indazol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide?

7-(1-benzothiophen-2-yl)-1H-indazol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide has a molecular weight of 624.75 g/mol, XLogP of 9.32, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-benzothiophen-2-yl)-1H-indazol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 157443284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).