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

C20H17N3O4 — CID 72628204

IUPAC3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(C=Cc3ccoc3)c12
InChIInChI=1S/C20H17N3O4/c1-25-19-15(20(24)21-11-14-3-2-9-27-14)5-7-17-18(19)16(22-23-17)6-4-13-8-10-26-12-13/h2-10,12H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyXJWVBTVICILKLZ-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.86
Rot. Bonds6

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

3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 72628204) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
PubChem CID72628204
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(C=Cc3ccoc3)c12
InChIInChI=1S/C20H17N3O4/c1-25-19-15(20(24)21-11-14-3-2-9-27-14)5-7-17-18(19)16(22-23-17)6-4-13-8-10-26-12-13/h2-10,12H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyXJWVBTVICILKLZ-UHFFFAOYSA-N
XLogP3.86
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 72628291
3-[(E)-2-(2-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 59796995
4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 59797387
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
3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91235662
3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91456024
6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 72564568
3-[2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-1H-indazole-5-carboxamide
CID 72628063
N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide
CID 110469584

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (CID 72628204) is 3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccco2)ccc2[nH]nc(C=Cc3ccoc3)c12.
What is the InChIKey of 3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is XJWVBTVICILKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-25-19-15(20(24)21-11-14-3-2-9-27-14)5-7-17-18(19)16(22-23-17)6-4-13-8-10-26-12-13/h2-10,12H,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 72628204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).