ethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate

C18H17FN2O3 — CID 70800567

IUPACethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)nn2cc(C)c(OC)cc12
InChIInChI=1S/C18H17FN2O3/c1-4-24-18(22)16-14-9-15(23-3)11(2)10-21(14)20-17(16)12-5-7-13(19)8-6-12/h5-10H,4H2,1-3H3
InChIKeySMAZBGKRRZXCOO-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.63
Rot. Bonds4

About ethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 70800567) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID70800567
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Nameethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)nn2cc(C)c(OC)cc12
InChIInChI=1S/C18H17FN2O3/c1-4-24-18(22)16-14-9-15(23-3)11(2)10-21(14)20-17(16)12-5-7-13(19)8-6-12/h5-10H,4H2,1-3H3
InChIKeySMAZBGKRRZXCOO-UHFFFAOYSA-N
XLogP3.63
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-Methoxy-2-trifluoromethylpyrazolo[1,5-a]pyridin-4-yl)-2-(pyridin-4-yl)ethanone
CID 24798271
5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 25071385
methyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 740223
[7-Methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-pyridin-4-ylmethanone
CID 72193177
6-[(5-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704834
anti-TB agent 1
CID 138377595
1-[7-Methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethane-1,2-dione
CID 72193176
Cyclohexyl 2-pyridin-4-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137634765
Cyclohexyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137642480
Butyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137658202
Methyl 5-methoxypyrazolo[1,5-a]pyridine-3-carboxylate
CID 13478392
Ethyl 2-(4-fluorophenyl)pyrazolo[1,5-A]pyridine-3-carboxylate
CID 71284143

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate (CID 70800567) is ethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)nn2cc(C)c(OC)cc12.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is SMAZBGKRRZXCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-4-24-18(22)16-14-9-15(23-3)11(2)10-21(14)20-17(16)12-5-7-13(19)8-6-12/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 328.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-5-methoxy-6-methylpyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 70800567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).