ethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate

C21H20F3N3O3 — CID 123158423

IUPACethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CCCC3c3cc(OC(F)F)ccc3F)cc12
InChIInChI=1S/C21H20F3N3O3/c1-2-29-20(28)16-12-25-27-9-7-13(10-19(16)27)26-8-3-4-18(26)15-11-14(30-21(23)24)5-6-17(15)22/h5-7,9-12,18,21H,2-4,8H2,1H3
InChIKeyROSIYNGIQFNJJL-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.59
Rot. Bonds6

About ethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 123158423) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is ethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID123158423
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Nameethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CCCC3c3cc(OC(F)F)ccc3F)cc12
InChIInChI=1S/C21H20F3N3O3/c1-2-29-20(28)16-12-25-27-9-7-13(10-19(16)27)26-8-3-4-18(26)15-11-14(30-21(23)24)5-6-17(15)22/h5-7,9-12,18,21H,2-4,8H2,1H3
InChIKeyROSIYNGIQFNJJL-UHFFFAOYSA-N
XLogP4.59
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;ethyl 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 158005063
ethyl 5-[(2R)-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 130440422
ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 123482196
ethyl 5-[(4S)-2-(2,5-difluorophenyl)-4-propan-2-ylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 130440418
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 78128026
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127779
N-tert-butylsulfonyl-5-[2-[3-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127589
N-[1-(2,5-difluorophenyl)-2-hydroxyethyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599091
N-tert-butylsulfonyl-5-[(2R)-2-[2-(difluoromethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599265
ethyl 4-[[5-[2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 123953918
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598716
[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 78127733

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 123158423) is ethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(OC(F)F)ccc3F)cc12.
What is the InChIKey of ethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is ROSIYNGIQFNJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-2-29-20(28)16-12-25-27-9-7-13(10-19(16)27)26-8-3-4-18(26)15-11-14(30-21(23)24)5-6-17(15)22/h5-7,9-12,18,21H,2-4,8H2,1H3.
What are the key properties of ethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 419.40 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 123158423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).