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

C20H13N3O2S — CID 59023896

IUPACN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1)c1ccco1
InChIInChI=1S/C20H13N3O2S/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/h1-11H,(H,21,23)(H,22,24)
InChIKeyMASVKCYCBIITDR-UHFFFAOYSA-N
MW359.41 g/mol
LogP5.29
Rot. Bonds3

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

N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide (PubChem CID 59023896) has the molecular formula C20H13N3O2S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide
PubChem CID59023896
Molecular FormulaC20H13N3O2S
Molecular Weight359.41 g/mol
Exact Mass359.07
IUPAC NameN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1)c1ccco1
InChIInChI=1S/C20H13N3O2S/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/h1-11H,(H,21,23)(H,22,24)
InChIKeyMASVKCYCBIITDR-UHFFFAOYSA-N
XLogP5.29
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.41
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide (CID 59023896) is N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide is O=C(Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1)c1ccco1.
What is the InChIKey of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide?
The InChIKey is MASVKCYCBIITDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2S/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/h1-11H,(H,21,23)(H,22,24).
What are the key properties of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide?
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 59023896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).