5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide

C20H17N3O4 — CID 11349031

IUPAC5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide
SMILESCOc1ccc2c(-c3ccc(C(=O)NO)o3)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C20H17N3O4/c1-26-14-7-8-15-16(11-14)23(12-13-5-3-2-4-6-13)21-19(15)17-9-10-18(27-17)20(24)22-25/h2-11,25H,12H2,1H3,(H,22,24)
InChIKeyJBVQZBXWCPIXJE-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.47
Rot. Bonds5

About 5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide

5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide (PubChem CID 11349031) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide.

Molecular Properties

Compound Name5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide
PubChem CID11349031
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide
SMILESCOc1ccc2c(-c3ccc(C(=O)NO)o3)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C20H17N3O4/c1-26-14-7-8-15-16(11-14)23(12-13-5-3-2-4-6-13)21-19(15)17-9-10-18(27-17)20(24)22-25/h2-11,25H,12H2,1H3,(H,22,24)
InChIKeyJBVQZBXWCPIXJE-UHFFFAOYSA-N
XLogP3.47
TPSA89.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole
CID 91100368
1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole
CID 11024496
1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate
CID 157125189
2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid
CID 141023866
5-(1-benzylindazol-3-yl)furan-2-carboxylic acid
CID 10925187
(1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone
CID 10472547
5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide
CID 22480360
(benzylamino) 5-(1-benzylindazol-3-yl)furan-2-carboxylate
CID 87493475
methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate
CID 46193608
1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 90682255
methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate
CID 175654005
N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide
CID 70760119

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide?
The IUPAC name of 5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide (CID 11349031) is 5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide.
What is the SMILES notation for 5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide?
The canonical SMILES for 5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide is COc1ccc2c(-c3ccc(C(=O)NO)o3)nn(Cc3ccccc3)c2c1.
What is the InChIKey of 5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide?
The InChIKey is JBVQZBXWCPIXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-26-14-7-8-15-16(11-14)23(12-13-5-3-2-4-6-13)21-19(15)17-9-10-18(27-17)20(24)22-25/h2-11,25H,12H2,1H3,(H,22,24).
What are the key properties of 5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide?
5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide is sourced from PubChem (CID 11349031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).