ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate

C26H29F2N5O3 — CID 123482196

IUPACethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc23)CC1
InChIInChI=1S/C26H29F2N5O3/c1-2-36-26(35)31-11-7-18(8-12-31)30-25(34)21-16-29-33-13-9-19(15-24(21)33)32-10-3-4-23(32)20-14-17(27)5-6-22(20)28/h5-6,9,13-16,18,23H,2-4,7-8,10-12H2,1H3,(H,30,34)
InChIKeyGTCMQGVWKOBUDC-UHFFFAOYSA-N
MW497.55 g/mol
LogP4.30
Rot. Bonds5

About ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 123482196) has the molecular formula C26H29F2N5O3 and a molecular weight of 497.55 g/mol. Its IUPAC name is ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID123482196
Molecular FormulaC26H29F2N5O3
Molecular Weight497.55 g/mol
Exact Mass497.22
IUPAC Nameethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc23)CC1
InChIInChI=1S/C26H29F2N5O3/c1-2-36-26(35)31-11-7-18(8-12-31)30-25(34)21-16-29-33-13-9-19(15-24(21)33)32-10-3-4-23(32)20-14-17(27)5-6-22(20)28/h5-6,9,13-16,18,23H,2-4,7-8,10-12H2,1H3,(H,30,34)
InChIKeyGTCMQGVWKOBUDC-UHFFFAOYSA-N
XLogP4.30
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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]pyridine-3-carboxylic acid;ethyl 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 158005063
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-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 78128026
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127585
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(hydroxymethyl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127418
ethyl 4-[[5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;4-[[5-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 158303038
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127779
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127775
2-tert-butyl-3-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylic acid
CID 118104854
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
ethyl 5-[2-[5-(difluoromethoxy)-2-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 123158423

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate (CID 123482196) is ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc23)CC1.
What is the InChIKey of ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is GTCMQGVWKOBUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5O3/c1-2-36-26(35)31-11-7-18(8-12-31)30-25(34)21-16-29-33-13-9-19(15-24(21)33)32-10-3-4-23(32)20-14-17(27)5-6-22(20)28/h5-6,9,13-16,18,23H,2-4,7-8,10-12H2,1H3,(H,30,34).
What are the key properties of ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 497.55 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 123482196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).