3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide

C23H20N4O4 — CID 72628291

IUPAC3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(C=Cc3ccc(C(C)=O)nc3)c12
InChIInChI=1S/C23H20N4O4/c1-14(28)18-8-5-15(12-24-18)6-9-19-21-20(27-26-19)10-7-17(22(21)30-2)23(29)25-13-16-4-3-11-31-16/h3-12H,13H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyWJDLAUSFCNJZIS-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.86
Rot. Bonds7

About 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide

3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 72628291) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
PubChem CID72628291
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(C=Cc3ccc(C(C)=O)nc3)c12
InChIInChI=1S/C23H20N4O4/c1-14(28)18-8-5-15(12-24-18)6-9-19-21-20(27-26-19)10-7-17(22(21)30-2)23(29)25-13-16-4-3-11-31-16/h3-12H,13H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyWJDLAUSFCNJZIS-UHFFFAOYSA-N
XLogP3.86
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-indazole-5-carboxamide
CID 59796966
3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 72628204
3-[(E)-2-(2-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 59796995
3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91456024
4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 59797387
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1H-pyrrol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91101370
3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91235662
3-[2-(1-benzofuran-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 69284821
3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide
CID 68934311
3-[(E)-2-(3,4-difluorophenyl)ethenyl]-N-(2-iminoethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 142836253
3-[2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90963822
6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 72564568

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (CID 72628291) is 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccco2)ccc2[nH]nc(C=Cc3ccc(C(C)=O)nc3)c12.
What is the InChIKey of 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is WJDLAUSFCNJZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-14(28)18-8-5-15(12-24-18)6-9-19-21-20(27-26-19)10-7-17(22(21)30-2)23(29)25-13-16-4-3-11-31-16/h3-12H,13H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 72628291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).