7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide

C24H16N4OS — CID 147160112

IUPAC7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1cc2c(c(-c3cc4ccccc4s3)c1)CN=C2
InChIInChI=1S/C24H16N4OS/c29-24(27-18-5-6-21-17(8-18)12-26-28-21)15-7-16-11-25-13-20(16)19(9-15)23-10-14-3-1-2-4-22(14)30-23/h1-12H,13H2,(H,26,28)(H,27,29)
InChIKeyBVRBENJTNRZVLS-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.63
Rot. Bonds3

About 7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide

7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide (PubChem CID 147160112) has the molecular formula C24H16N4OS and a molecular weight of 408.49 g/mol. Its IUPAC name is 7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide.

Molecular Properties

Compound Name7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide
PubChem CID147160112
Molecular FormulaC24H16N4OS
Molecular Weight408.49 g/mol
Exact Mass408.10
IUPAC Name7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1cc2c(c(-c3cc4ccccc4s3)c1)CN=C2
InChIInChI=1S/C24H16N4OS/c29-24(27-18-5-6-21-17(8-18)12-26-28-21)15-7-16-11-25-13-20(16)19(9-15)23-10-14-3-1-2-4-22(14)30-23/h1-12H,13H2,(H,26,28)(H,27,29)
InChIKeyBVRBENJTNRZVLS-UHFFFAOYSA-N
XLogP5.63
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide
CID 59024311
7-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)-1H-indazole-5-carboxamide
CID 59023990
N-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 69422881
7-(1-benzothiophen-2-yl)-1H-isoindol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]furan-2-carboxamide
CID 160558098
4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide
CID 59023989
(1R)-N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-3-oxocyclopentane-1-carboxamide
CID 158546424
(2R)-N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 162252841
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide
CID 59024280
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide
CID 141188034
7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide
CID 59023766
7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide
CID 91350780

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide?
The IUPAC name of 7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide (CID 147160112) is 7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide.
What is the SMILES notation for 7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide?
The canonical SMILES for 7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)c1cc2c(c(-c3cc4ccccc4s3)c1)CN=C2.
What is the InChIKey of 7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide?
The InChIKey is BVRBENJTNRZVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4OS/c29-24(27-18-5-6-21-17(8-18)12-26-28-21)15-7-16-11-25-13-20(16)19(9-15)23-10-14-3-1-2-4-22(14)30-23/h1-12H,13H2,(H,26,28)(H,27,29).
What are the key properties of 7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide?
7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide has a molecular weight of 408.49 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 7-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)-1H-isoindole-5-carboxamide is sourced from PubChem (CID 147160112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).