ethyl 5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate

C18H17FN2O3 — CID 170343930

IUPACethyl 5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2ccc(OCc3ccccc3F)cc12
InChIInChI=1S/C18H17FN2O3/c1-3-23-18(22)17-12(2)20-21-9-8-14(10-16(17)21)24-11-13-6-4-5-7-15(13)19/h4-10H,3,11H2,1-2H3
InChIKeyVVYXNBZCRPBWQO-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.54
Rot. Bonds5

About ethyl 5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 170343930) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is ethyl 5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID170343930
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Nameethyl 5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2ccc(OCc3ccccc3F)cc12
InChIInChI=1S/C18H17FN2O3/c1-3-23-18(22)17-12(2)20-21-9-8-14(10-16(17)21)24-11-13-6-4-5-7-15(13)19/h4-10H,3,11H2,1-2H3
InChIKeyVVYXNBZCRPBWQO-UHFFFAOYSA-N
XLogP3.54
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate (CID 170343930) is ethyl 5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nn2ccc(OCc3ccccc3F)cc12.
What is the InChIKey of ethyl 5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is VVYXNBZCRPBWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-3-23-18(22)17-12(2)20-21-9-8-14(10-16(17)21)24-11-13-6-4-5-7-15(13)19/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 328.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 170343930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).