1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole

C20H18N2O2 — CID 91100368

IUPAC1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole
SMILESCOc1ccc2c(-c3ccc(C)o3)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C20H18N2O2/c1-14-8-11-19(24-14)20-17-10-9-16(23-2)12-18(17)22(21-20)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyKWGOMACKICUPNV-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.66
Rot. Bonds4

About 1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole

1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole (PubChem CID 91100368) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole.

Molecular Properties

Compound Name1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole
PubChem CID91100368
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole
SMILESCOc1ccc2c(-c3ccc(C)o3)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C20H18N2O2/c1-14-8-11-19(24-14)20-17-10-9-16(23-2)12-18(17)22(21-20)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyKWGOMACKICUPNV-UHFFFAOYSA-N
XLogP4.66
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole
CID 11024496
5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide
CID 11349031
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
(1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone
CID 10472547
5-(1-benzylindazol-3-yl)furan-2-carboxylic acid
CID 10925187
(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-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161888
1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole
CID 91123404
5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 53245544
5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole
CID 162528409

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole?
The IUPAC name of 1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole (CID 91100368) is 1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole.
What is the SMILES notation for 1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole?
The canonical SMILES for 1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole is COc1ccc2c(-c3ccc(C)o3)nn(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole?
The InChIKey is KWGOMACKICUPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14-8-11-19(24-14)20-17-10-9-16(23-2)12-18(17)22(21-20)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3.
What are the key properties of 1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole?
1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole has a molecular weight of 318.38 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole is sourced from PubChem (CID 91100368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).