6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-methyl-1H-indazole-3-carboxamide

C24H18N4O2S — CID 68622776

IUPAC6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3ccc(NC(=O)c4cc5ccccc5s4)cc3)ccc12
InChIInChI=1S/C24H18N4O2S/c1-25-24(30)22-18-11-8-15(12-19(18)27-28-22)14-6-9-17(10-7-14)26-23(29)21-13-16-4-2-3-5-20(16)31-21/h2-13H,1H3,(H,25,30)(H,26,29)(H,27,28)
InChIKeyAIIZQKUANNHDQA-UHFFFAOYSA-N
MW426.50 g/mol
LogP5.06
Rot. Bonds4

About 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-methyl-1H-indazole-3-carboxamide

6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 68622776) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID68622776
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC Name6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3ccc(NC(=O)c4cc5ccccc5s4)cc3)ccc12
InChIInChI=1S/C24H18N4O2S/c1-25-24(30)22-18-11-8-15(12-19(18)27-28-22)14-6-9-17(10-7-14)26-23(29)21-13-16-4-2-3-5-20(16)31-21/h2-13H,1H3,(H,25,30)(H,26,29)(H,27,28)
InChIKeyAIIZQKUANNHDQA-UHFFFAOYSA-N
XLogP5.06
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-methyl-1H-indazole-3-carboxamide (CID 68622776) is 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-methyl-1H-indazole-3-carboxamide is CNC(=O)c1n[nH]c2cc(-c3ccc(NC(=O)c4cc5ccccc5s4)cc3)ccc12.
What is the InChIKey of 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is AIIZQKUANNHDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c1-25-24(30)22-18-11-8-15(12-19(18)27-28-22)14-6-9-17(10-7-14)26-23(29)21-13-16-4-2-3-5-20(16)31-21/h2-13H,1H3,(H,25,30)(H,26,29)(H,27,28).
What are the key properties of 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-methyl-1H-indazole-3-carboxamide?
6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 5.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 68622776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).