3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

C24H21N3O3S — CID 72628235

IUPAC3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cccs2)ccc2[nH]nc(C=Cc3ccc4c(c3)CCO4)c12
InChIInChI=1S/C24H21N3O3S/c1-29-23-18(24(28)25-14-17-3-2-12-31-17)6-8-20-22(23)19(26-27-20)7-4-15-5-9-21-16(13-15)10-11-30-21/h2-9,12-13H,10-11,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyWBMUEIHBZLPDFX-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.67
Rot. Bonds6

About 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 72628235) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID72628235
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cccs2)ccc2[nH]nc(C=Cc3ccc4c(c3)CCO4)c12
InChIInChI=1S/C24H21N3O3S/c1-29-23-18(24(28)25-14-17-3-2-12-31-17)6-8-20-22(23)19(26-27-20)7-4-15-5-9-21-16(13-15)10-11-30-21/h2-9,12-13H,10-11,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyWBMUEIHBZLPDFX-UHFFFAOYSA-N
XLogP4.67
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (CID 72628235) is 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2cccs2)ccc2[nH]nc(C=Cc3ccc4c(c3)CCO4)c12.
What is the InChIKey of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is WBMUEIHBZLPDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-29-23-18(24(28)25-14-17-3-2-12-31-17)6-8-20-22(23)19(26-27-20)7-4-15-5-9-21-16(13-15)10-11-30-21/h2-9,12-13H,10-11,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 72628235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).