methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate

C18H16BrFN2O2 — CID 153354375

IUPACmethyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCCc1cc(C(=O)OC)c(C)c2cc(-c3ccc(Br)cc3F)nn12
InChIInChI=1S/C18H16BrFN2O2/c1-4-12-8-14(18(23)24-3)10(2)17-9-16(21-22(12)17)13-6-5-11(19)7-15(13)20/h5-9H,4H2,1-3H3
InChIKeyHGYZEUFBGDNOSP-UHFFFAOYSA-N
MW391.24 g/mol
LogP4.56
Rot. Bonds3

About methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate

methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 153354375) has the molecular formula C18H16BrFN2O2 and a molecular weight of 391.24 g/mol. Its IUPAC name is methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate
PubChem CID153354375
Molecular FormulaC18H16BrFN2O2
Molecular Weight391.24 g/mol
Exact Mass390.04
IUPAC Namemethyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCCc1cc(C(=O)OC)c(C)c2cc(-c3ccc(Br)cc3F)nn12
InChIInChI=1S/C18H16BrFN2O2/c1-4-12-8-14(18(23)24-3)10(2)17-9-16(21-22(12)17)13-6-5-11(19)7-15(13)20/h5-9H,4H2,1-3H3
InChIKeyHGYZEUFBGDNOSP-UHFFFAOYSA-N
XLogP4.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.24
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate (CID 153354375) is methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate is CCc1cc(C(=O)OC)c(C)c2cc(-c3ccc(Br)cc3F)nn12.
What is the InChIKey of methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is HGYZEUFBGDNOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O2/c1-4-12-8-14(18(23)24-3)10(2)17-9-16(21-22(12)17)13-6-5-11(19)7-15(13)20/h5-9H,4H2,1-3H3.
What are the key properties of methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate?
methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 391.24 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methylpyrazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 153354375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).