N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

C24H17N3O2S — CID 22260994

IUPACN-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1)c1cccc2c1OCC2
InChIInChI=1S/C24H17N3O2S/c28-24(17-6-3-5-14-10-11-29-23(14)17)25-16-8-9-19-18(13-16)22(27-26-19)21-12-15-4-1-2-7-20(15)30-21/h1-9,12-13H,10-11H2,(H,25,28)(H,26,27)
InChIKeyBTOMSDIILDFGPE-UHFFFAOYSA-N
MW411.49 g/mol
LogP5.63
Rot. Bonds3

About N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 22260994) has the molecular formula C24H17N3O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID22260994
Molecular FormulaC24H17N3O2S
Molecular Weight411.49 g/mol
Exact Mass411.10
IUPAC NameN-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1)c1cccc2c1OCC2
InChIInChI=1S/C24H17N3O2S/c28-24(17-6-3-5-14-10-11-29-23(14)17)25-16-8-9-19-18(13-16)22(27-26-19)21-12-15-4-1-2-7-20(15)30-21/h1-9,12-13H,10-11H2,(H,25,28)(H,26,27)
InChIKeyBTOMSDIILDFGPE-UHFFFAOYSA-N
XLogP5.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.49
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 22260994) is N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1)c1cccc2c1OCC2.
What is the InChIKey of N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is BTOMSDIILDFGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2S/c28-24(17-6-3-5-14-10-11-29-23(14)17)25-16-8-9-19-18(13-16)22(27-26-19)21-12-15-4-1-2-7-20(15)30-21/h1-9,12-13H,10-11H2,(H,25,28)(H,26,27).
What are the key properties of N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 5.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 22260994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).