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

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

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Related Compounds

N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 9867731
N-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide
CID 50846983
5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide
CID 134142757
N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 22260745
N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide
CID 22260762
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide
CID 59023720
2-ethoxy-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]benzamide
CID 69805959
ethane;N-[4-[(3-ethyl-2H-indazol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]-2-oxo-2-thiophen-2-ylacetamide
CID 142086304
N-[4-[(3-ethyl-2H-indazol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]-2-oxo-2-thiophen-2-ylacetamide
CID 142086305
Methyl 5-{1H,4H,5H-benzo[G]indazole-3-amido}-3-ethoxy-1-benzothiophene-2-carboxylate
CID 20972416
N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide
CID 22260908
N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide
CID 22261052

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).