methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate

C20H15FN2O3 — CID 11100198

IUPACmethyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1
InChIInChI=1S/C20H15FN2O3/c1-25-20(24)18-10-9-17(26-18)19-15-8-7-14(21)11-16(15)23(22-19)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyGNSWLNYHLPXHMT-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.27
Rot. Bonds4

About methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate

methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate (PubChem CID 11100198) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate
PubChem CID11100198
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Namemethyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1
InChIInChI=1S/C20H15FN2O3/c1-25-20(24)18-10-9-17(26-18)19-15-8-7-14(21)11-16(15)23(22-19)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyGNSWLNYHLPXHMT-UHFFFAOYSA-N
XLogP4.27
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate (CID 11100198) is methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate is COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1.
What is the InChIKey of methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate?
The InChIKey is GNSWLNYHLPXHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c1-25-20(24)18-10-9-17(26-18)19-15-8-7-14(21)11-16(15)23(22-19)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate?
methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate has a molecular weight of 350.35 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate is sourced from PubChem (CID 11100198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).