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

C23H20FN3O4 — CID 72628337

IUPAC3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc(C=Cc2n[nH]c3ccc(C(=O)NCc4ccco4)c(OC)c23)ccc1F
InChIInChI=1S/C23H20FN3O4/c1-29-20-12-14(5-8-17(20)24)6-9-18-21-19(27-26-18)10-7-16(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)
InChIKeyUJJIYNSJDUDRQK-UHFFFAOYSA-N
MW421.43 g/mol
LogP4.41
Rot. Bonds7

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

3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 72628337) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is 3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
PubChem CID72628337
Molecular FormulaC23H20FN3O4
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC Name3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc(C=Cc2n[nH]c3ccc(C(=O)NCc4ccco4)c(OC)c23)ccc1F
InChIInChI=1S/C23H20FN3O4/c1-29-20-12-14(5-8-17(20)24)6-9-18-21-19(27-26-18)10-7-16(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)
InChIKeyUJJIYNSJDUDRQK-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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Related Compounds

3-benzyl-N-[(4-ethoxyphenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630325
3-benzyl-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630344
6-hydroxy-3-[(3-methoxyphenyl)methyl]-N-methyl-N-(4-morpholin-4-ylphenyl)-1H-indazole-5-carboxamide
CID 145970991
3-benzyl-N-(furan-2-yl)-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630354
N-benzyl-6-hydroxy-3-[(3-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630311
N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide
CID 146208896
Nop-46
CID 122483505
3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46944203
(3-Benzo[d]furan-2-yl(1h-indazol-5-yl))-n-[2-(dimethylamino)ethyl]carboxamide
CID 20789075
3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide
CID 20789076
(3-Benzo[d]furan-2-yl(1h-indazol-5-yl))-n-[3-(dimethylamino)propyl]carboxamide
CID 20789077
(3-Benzo[d]furan-2-yl(1h-indazol-5-yl))-n (2methylpropyl)carboxamide
CID 20789079

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (CID 72628337) is 3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is COc1cc(C=Cc2n[nH]c3ccc(C(=O)NCc4ccco4)c(OC)c23)ccc1F.
What is the InChIKey of 3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is UJJIYNSJDUDRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4/c1-29-20-12-14(5-8-17(20)24)6-9-18-21-19(27-26-18)10-7-16(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-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
3-[2-(4-fluoro-3-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-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 72628337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).