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

C23H21N3O3S — CID 72628205

IUPAC4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4cccs4)c(OC)c23)cc1
InChIInChI=1S/C23H21N3O3S/c1-28-16-8-5-15(6-9-16)7-11-19-21-20(26-25-19)12-10-18(22(21)29-2)23(27)24-14-17-4-3-13-30-17/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyMMQSEDBRJOCULZ-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.74
Rot. Bonds7

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

4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 72628205) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID72628205
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4cccs4)c(OC)c23)cc1
InChIInChI=1S/C23H21N3O3S/c1-28-16-8-5-15(6-9-16)7-11-19-21-20(26-25-19)12-10-18(22(21)29-2)23(27)24-14-17-4-3-13-30-17/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyMMQSEDBRJOCULZ-UHFFFAOYSA-N
XLogP4.74
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (CID 72628205) is 4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is COc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4cccs4)c(OC)c23)cc1.
What is the InChIKey of 4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is MMQSEDBRJOCULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-28-16-8-5-15(6-9-16)7-11-19-21-20(26-25-19)12-10-18(22(21)29-2)23(27)24-14-17-4-3-13-30-17/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 72628205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).