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

C18H16BrFN2O3 — CID 148699234

IUPACmethyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methoxypyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCCc1cc(C(=O)OC)c(OC)c2cc(-c3ccc(Br)cc3F)nn12
InChIInChI=1S/C18H16BrFN2O3/c1-4-11-8-13(18(23)25-3)17(24-2)16-9-15(21-22(11)16)12-6-5-10(19)7-14(12)20/h5-9H,4H2,1-3H3
InChIKeyNVAPSRNHXJXTNU-UHFFFAOYSA-N
MW407.24 g/mol
LogP4.26
Rot. Bonds4

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

methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methoxypyrazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 148699234) has the molecular formula C18H16BrFN2O3 and a molecular weight of 407.24 g/mol. Its IUPAC name is methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methoxypyrazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methoxypyrazolo[1,5-a]pyridine-5-carboxylate
PubChem CID148699234
Molecular FormulaC18H16BrFN2O3
Molecular Weight407.24 g/mol
Exact Mass406.03
IUPAC Namemethyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methoxypyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCCc1cc(C(=O)OC)c(OC)c2cc(-c3ccc(Br)cc3F)nn12
InChIInChI=1S/C18H16BrFN2O3/c1-4-11-8-13(18(23)25-3)17(24-2)16-9-15(21-22(11)16)12-6-5-10(19)7-14(12)20/h5-9H,4H2,1-3H3
InChIKeyNVAPSRNHXJXTNU-UHFFFAOYSA-N
XLogP4.26
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.24
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methoxypyrazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methoxypyrazolo[1,5-a]pyridine-5-carboxylate (CID 148699234) is methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methoxypyrazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methoxypyrazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methoxypyrazolo[1,5-a]pyridine-5-carboxylate is CCc1cc(C(=O)OC)c(OC)c2cc(-c3ccc(Br)cc3F)nn12.
What is the InChIKey of methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methoxypyrazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is NVAPSRNHXJXTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O3/c1-4-11-8-13(18(23)25-3)17(24-2)16-9-15(21-22(11)16)12-6-5-10(19)7-14(12)20/h5-9H,4H2,1-3H3.
What are the key properties of methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methoxypyrazolo[1,5-a]pyridine-5-carboxylate?
methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methoxypyrazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 407.24 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-2-fluorophenyl)-7-ethyl-4-methoxypyrazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 148699234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).