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

C38H34F4N6O4 — CID 158005063

IUPAC5-[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
SMILESCCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12.O=C(O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12
InChIInChI=1S/C20H19F2N3O2.C18H15F2N3O2/c1-2-27-20(26)16-12-23-25-9-7-14(11-19(16)25)24-8-3-4-18(24)15-10-13(21)5-6-17(15)22;19-11-3-4-15(20)13(8-11)16-2-1-6-22(16)12-5-7-23-17(9-12)14(10-21-23)18(24)25/h5-7,9-12,18H,2-4,8H2,1H3;3-5,7-10,16H,1-2,6H2,(H,24,25)
InChIKeyFEEPMWLNLBAPTR-UHFFFAOYSA-N
MW714.72 g/mol
LogP7.78
Rot. Bonds7

About 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

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 (PubChem CID 158005063) has the molecular formula C38H34F4N6O4 and a molecular weight of 714.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID158005063
Molecular FormulaC38H34F4N6O4
Molecular Weight714.72 g/mol
Exact Mass714.26
IUPAC Name5-[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
SMILESCCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12.O=C(O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12
InChIInChI=1S/C20H19F2N3O2.C18H15F2N3O2/c1-2-27-20(26)16-12-23-25-9-7-14(11-19(16)25)24-8-3-4-18(24)15-10-13(21)5-6-17(15)22;19-11-3-4-15(20)13(8-11)16-2-1-6-22(16)12-5-7-23-17(9-12)14(10-21-23)18(24)25/h5-7,9-12,18H,2-4,8H2,1H3;3-5,7-10,16H,1-2,6H2,(H,24,25)
InChIKeyFEEPMWLNLBAPTR-UHFFFAOYSA-N
XLogP7.78
TPSA104.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.72
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

ethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
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ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
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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
lithium;2-cyclopentyl-1,4-difluorobenzene;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide
CID 157257466
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
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[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
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[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
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ethyl 4-[[5-[2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12.O=C(O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12.
What is the InChIKey of 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?
The InChIKey is FEEPMWLNLBAPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2.C18H15F2N3O2/c1-2-27-20(26)16-12-23-25-9-7-14(11-19(16)25)24-8-3-4-18(24)15-10-13(21)5-6-17(15)22;19-11-3-4-15(20)13(8-11)16-2-1-6-22(16)12-5-7-23-17(9-12)14(10-21-23)18(24)25/h5-7,9-12,18H,2-4,8H2,1H3;3-5,7-10,16H,1-2,6H2,(H,24,25).
What are the key properties of 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?
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 has a molecular weight of 714.72 g/mol, XLogP of 7.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158005063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).