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

C26H29F2N5O — CID 78127585

IUPACN-(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
SMILESO=C(NC1CCN2CCCC2C1)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12
InChIInChI=1S/C26H29F2N5O/c27-17-5-6-23(28)21(13-17)24-4-2-10-32(24)20-8-12-33-25(15-20)22(16-29-33)26(34)30-18-7-11-31-9-1-3-19(31)14-18/h5-6,8,12-13,15-16,18-19,24H,1-4,7,9-11,14H2,(H,30,34)
InChIKeyLOPNSFIGCPWFND-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.31
Rot. Bonds4

About 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

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 (PubChem CID 78127585) has the molecular formula C26H29F2N5O and a molecular weight of 465.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID78127585
Molecular FormulaC26H29F2N5O
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC NameN-(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
SMILESO=C(NC1CCN2CCCC2C1)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12
InChIInChI=1S/C26H29F2N5O/c27-17-5-6-23(28)21(13-17)24-4-2-10-32(24)20-8-12-33-25(15-20)22(16-29-33)26(34)30-18-7-11-31-9-1-3-19(31)14-18/h5-6,8,12-13,15-16,18-19,24H,1-4,7,9-11,14H2,(H,30,34)
InChIKeyLOPNSFIGCPWFND-UHFFFAOYSA-N
XLogP4.31
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(hydroxymethyl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127418
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598716
ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 123482196
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 78128026
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
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
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
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127779
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599263
N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127945
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599516
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599782

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NC1CCN2CCCC2C1)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12.
What is the InChIKey of 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?
The InChIKey is LOPNSFIGCPWFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5O/c27-17-5-6-23(28)21(13-17)24-4-2-10-32(24)20-8-12-33-25(15-20)22(16-29-33)26(34)30-18-7-11-31-9-1-3-19(31)14-18/h5-6,8,12-13,15-16,18-19,24H,1-4,7,9-11,14H2,(H,30,34).
What are the key properties of 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?
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 has a molecular weight of 465.55 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 78127585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).