5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide

C25H19N3O3 — CID 22480360

IUPAC5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C25H19N3O3/c29-21-13-7-5-11-19(21)26-25(30)23-15-14-22(31-23)24-18-10-4-6-12-20(18)28(27-24)16-17-8-2-1-3-9-17/h1-15,29H,16H2,(H,26,30)
InChIKeyOFZUXPYZPJSDEQ-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.30
Rot. Bonds5

About 5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide

5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide (PubChem CID 22480360) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide
PubChem CID22480360
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C25H19N3O3/c29-21-13-7-5-11-19(21)26-25(30)23-15-14-22(31-23)24-18-10-4-6-12-20(18)28(27-24)16-17-8-2-1-3-9-17/h1-15,29H,16H2,(H,26,30)
InChIKeyOFZUXPYZPJSDEQ-UHFFFAOYSA-N
XLogP5.30
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-(1-benzylindazol-3-yl)furan-2-carboxylic acid
CID 10925187
(benzylamino) 5-(1-benzylindazol-3-yl)furan-2-carboxylate
CID 87493475
5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide
CID 11349031
1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole
CID 91123404
1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid
CID 59341274
4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile
CID 22239023
methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate
CID 46193608
2-[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]acetic acid
CID 21106945
1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole
CID 91100368
1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate
CID 157125189
1-benzylindazole-3-carboxylate
CID 22239042
5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide
CID 82110591

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide (CID 22480360) is 5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide is O=C(Nc1ccccc1O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.
What is the InChIKey of 5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide?
The InChIKey is OFZUXPYZPJSDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c29-21-13-7-5-11-19(21)26-25(30)23-15-14-22(31-23)24-18-10-4-6-12-20(18)28(27-24)16-17-8-2-1-3-9-17/h1-15,29H,16H2,(H,26,30).
What are the key properties of 5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide?
5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 22480360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).