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

C20H17FN2O2 — CID 11024165

IUPAC1-benzyl-6-fluoro-3-[5-(methoxymethyl)furan-2-yl]indazole
SMILESCOCc1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1
InChIInChI=1S/C20H17FN2O2/c1-24-13-16-8-10-19(25-16)20-17-9-7-15(21)11-18(17)23(22-20)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3
InChIKeySSMJCUHCELTDCC-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.63
Rot. Bonds5

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

1-benzyl-6-fluoro-3-[5-(methoxymethyl)furan-2-yl]indazole (PubChem CID 11024165) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-benzyl-6-fluoro-3-[5-(methoxymethyl)furan-2-yl]indazole.

Molecular Properties

Compound Name1-benzyl-6-fluoro-3-[5-(methoxymethyl)furan-2-yl]indazole
PubChem CID11024165
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name1-benzyl-6-fluoro-3-[5-(methoxymethyl)furan-2-yl]indazole
SMILESCOCc1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1
InChIInChI=1S/C20H17FN2O2/c1-24-13-16-8-10-19(25-16)20-17-9-7-15(21)11-18(17)23(22-20)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3
InChIKeySSMJCUHCELTDCC-UHFFFAOYSA-N
XLogP4.63
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-fluoro-3-[5-(methoxymethyl)furan-2-yl]indazole?
The IUPAC name of 1-benzyl-6-fluoro-3-[5-(methoxymethyl)furan-2-yl]indazole (CID 11024165) is 1-benzyl-6-fluoro-3-[5-(methoxymethyl)furan-2-yl]indazole.
What is the SMILES notation for 1-benzyl-6-fluoro-3-[5-(methoxymethyl)furan-2-yl]indazole?
The canonical SMILES for 1-benzyl-6-fluoro-3-[5-(methoxymethyl)furan-2-yl]indazole is COCc1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1.
What is the InChIKey of 1-benzyl-6-fluoro-3-[5-(methoxymethyl)furan-2-yl]indazole?
The InChIKey is SSMJCUHCELTDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-24-13-16-8-10-19(25-16)20-17-9-7-15(21)11-18(17)23(22-20)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3.
What are the key properties of 1-benzyl-6-fluoro-3-[5-(methoxymethyl)furan-2-yl]indazole?
1-benzyl-6-fluoro-3-[5-(methoxymethyl)furan-2-yl]indazole has a molecular weight of 336.37 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-fluoro-3-[5-(methoxymethyl)furan-2-yl]indazole is sourced from PubChem (CID 11024165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).