3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide

C24H21N3O4 — CID 59797268

IUPAC3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(/C=C/c3cccc(C(C)=O)c3)c12
InChIInChI=1S/C24H21N3O4/c1-15(28)17-6-3-5-16(13-17)8-10-20-22-21(27-26-20)11-9-19(23(22)30-2)24(29)25-14-18-7-4-12-31-18/h3-13H,14H2,1-2H3,(H,25,29)(H,26,27)/b10-8+
InChIKeyZEETXOCXRXJADU-CSKARUKUSA-N
MW415.45 g/mol
LogP4.47
Rot. Bonds7

About 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide

3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 59797268) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
PubChem CID59797268
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(/C=C/c3cccc(C(C)=O)c3)c12
InChIInChI=1S/C24H21N3O4/c1-15(28)17-6-3-5-16(13-17)8-10-20-22-21(27-26-20)11-9-19(23(22)30-2)24(29)25-14-18-7-4-12-31-18/h3-13H,14H2,1-2H3,(H,25,29)(H,26,27)/b10-8+
InChIKeyZEETXOCXRXJADU-CSKARUKUSA-N
XLogP4.47
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (CID 59797268) is 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccco2)ccc2[nH]nc(/C=C/c3cccc(C(C)=O)c3)c12.
What is the InChIKey of 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is ZEETXOCXRXJADU-CSKARUKUSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-15(28)17-6-3-5-16(13-17)8-10-20-22-21(27-26-20)11-9-19(23(22)30-2)24(29)25-14-18-7-4-12-31-18/h3-13H,14H2,1-2H3,(H,25,29)(H,26,27)/b10-8+.
What are the key properties of 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 59797268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).