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

C23H20FN3O4 — CID 72628340

IUPAC3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4ccco4)c(OC)c23)cc1F
InChIInChI=1S/C23H20FN3O4/c1-29-20-10-6-14(12-17(20)24)5-8-18-21-19(27-26-18)9-7-16(22(21)30-2)23(28)25-13-15-4-3-11-31-15/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyYRQMCRZMHFJBQK-UHFFFAOYSA-N
MW421.43 g/mol
LogP4.41
Rot. Bonds7

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

3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 72628340) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
PubChem CID72628340
Molecular FormulaC23H20FN3O4
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC Name3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4ccco4)c(OC)c23)cc1F
InChIInChI=1S/C23H20FN3O4/c1-29-20-10-6-14(12-17(20)24)5-8-18-21-19(27-26-18)9-7-16(22(21)30-2)23(28)25-13-15-4-3-11-31-15/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyYRQMCRZMHFJBQK-UHFFFAOYSA-N
XLogP4.41
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (CID 72628340) is 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is COc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4ccco4)c(OC)c23)cc1F.
What is the InChIKey of 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is YRQMCRZMHFJBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4/c1-29-20-10-6-14(12-17(20)24)5-8-18-21-19(27-26-18)9-7-16(22(21)30-2)23(28)25-13-15-4-3-11-31-15/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 72628340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).