1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole

C21H20N2O3 — CID 11024496

IUPAC1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole
SMILESCOCc1ccc(-c2nn(Cc3ccccc3)c3cc(OC)ccc23)o1
InChIInChI=1S/C21H20N2O3/c1-24-14-17-9-11-20(26-17)21-18-10-8-16(25-2)12-19(18)23(22-21)13-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3
InChIKeyBUNIQGCOJFAUCF-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.50
Rot. Bonds6

About 1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole

1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole (PubChem CID 11024496) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole.

Molecular Properties

Compound Name1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole
PubChem CID11024496
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole
SMILESCOCc1ccc(-c2nn(Cc3ccccc3)c3cc(OC)ccc23)o1
InChIInChI=1S/C21H20N2O3/c1-24-14-17-9-11-20(26-17)21-18-10-8-16(25-2)12-19(18)23(22-21)13-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3
InChIKeyBUNIQGCOJFAUCF-UHFFFAOYSA-N
XLogP4.50
TPSA49.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole
CID 91100368
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-3-[5-(nitrosomethyl)furan-2-yl]indazole
CID 91123404
(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
5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole
CID 162528409
methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate
CID 46193608
5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide
CID 22480360
9-benzyl-7-methoxypyrido[3,4-b]indole
CID 68940620

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole?
The IUPAC name of 1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole (CID 11024496) is 1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole.
What is the SMILES notation for 1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole?
The canonical SMILES for 1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole is COCc1ccc(-c2nn(Cc3ccccc3)c3cc(OC)ccc23)o1.
What is the InChIKey of 1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole?
The InChIKey is BUNIQGCOJFAUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-24-14-17-9-11-20(26-17)21-18-10-8-16(25-2)12-19(18)23(22-21)13-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3.
What are the key properties of 1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole?
1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole has a molecular weight of 348.40 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole is sourced from PubChem (CID 11024496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).