methyl 6-fluoro-5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate

C14H15FN2O4 — CID 59145903

IUPACmethyl 6-fluoro-5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate
SMILESCOC(=O)CCc1c(F)cc2nn(C)cc2c1C(=O)OC
InChIInChI=1S/C14H15FN2O4/c1-17-7-9-11(16-17)6-10(15)8(4-5-12(18)20-2)13(9)14(19)21-3/h6-7H,4-5H2,1-3H3
InChIKeyGQERHRKLGOMFST-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.60
Rot. Bonds4

About methyl 6-fluoro-5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate

methyl 6-fluoro-5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate (PubChem CID 59145903) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is methyl 6-fluoro-5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate
PubChem CID59145903
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Namemethyl 6-fluoro-5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate
SMILESCOC(=O)CCc1c(F)cc2nn(C)cc2c1C(=O)OC
InChIInChI=1S/C14H15FN2O4/c1-17-7-9-11(16-17)6-10(15)8(4-5-12(18)20-2)13(9)14(19)21-3/h6-7H,4-5H2,1-3H3
InChIKeyGQERHRKLGOMFST-UHFFFAOYSA-N
XLogP1.60
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate?
The IUPAC name of methyl 6-fluoro-5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate (CID 59145903) is methyl 6-fluoro-5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate.
What is the SMILES notation for methyl 6-fluoro-5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate?
The canonical SMILES for methyl 6-fluoro-5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate is COC(=O)CCc1c(F)cc2nn(C)cc2c1C(=O)OC.
What is the InChIKey of methyl 6-fluoro-5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate?
The InChIKey is GQERHRKLGOMFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-17-7-9-11(16-17)6-10(15)8(4-5-12(18)20-2)13(9)14(19)21-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 6-fluoro-5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate?
methyl 6-fluoro-5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate has a molecular weight of 294.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-5-(3-methoxy-3-oxopropyl)-2-methylindazole-4-carboxylate is sourced from PubChem (CID 59145903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).