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

C24H23N3O4S — CID 72628317

IUPAC3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4cccs4)c(OC)c23)cc1OC
InChIInChI=1S/C24H23N3O4S/c1-29-20-11-7-15(13-21(20)30-2)6-9-18-22-19(27-26-18)10-8-17(23(22)31-3)24(28)25-14-16-5-4-12-32-16/h4-13H,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyRIYTZNNGFGNNPE-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.75
Rot. Bonds8

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

3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 72628317) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID72628317
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4cccs4)c(OC)c23)cc1OC
InChIInChI=1S/C24H23N3O4S/c1-29-20-11-7-15(13-21(20)30-2)6-9-18-22-19(27-26-18)10-8-17(23(22)31-3)24(28)25-14-16-5-4-12-32-16/h4-13H,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyRIYTZNNGFGNNPE-UHFFFAOYSA-N
XLogP4.75
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (CID 72628317) is 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is COc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4cccs4)c(OC)c23)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is RIYTZNNGFGNNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-29-20-11-7-15(13-21(20)30-2)6-9-18-22-19(27-26-18)10-8-17(23(22)31-3)24(28)25-14-16-5-4-12-32-16/h4-13H,14H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 72628317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).