5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

C25H20F2N6O2 — CID 71599263

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C25H20F2N6O2/c26-14-3-5-19(27)17(10-14)22-2-1-8-32(22)16-7-9-33-23(12-16)18(13-28-33)24(34)29-15-4-6-20-21(11-15)31-25(35)30-20/h3-7,9-13,22H,1-2,8H2,(H,29,34)(H2,30,31,35)/t22-/m1/s1
InChIKeyJAGXNMJUUBCULA-JOCHJYFZSA-N
MW474.47 g/mol
LogP4.38
Rot. Bonds4

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71599263) has the molecular formula C25H20F2N6O2 and a molecular weight of 474.47 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71599263
Molecular FormulaC25H20F2N6O2
Molecular Weight474.47 g/mol
Exact Mass474.16
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C25H20F2N6O2/c26-14-3-5-19(27)17(10-14)22-2-1-8-32(22)16-7-9-33-23(12-16)18(13-28-33)24(34)29-15-4-6-20-21(11-15)31-25(35)30-20/h3-7,9-13,22H,1-2,8H2,(H,29,34)(H2,30,31,35)/t22-/m1/s1
InChIKeyJAGXNMJUUBCULA-JOCHJYFZSA-N
XLogP4.38
TPSA98.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 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) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JAGXNMJUUBCULA-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H20F2N6O2/c26-14-3-5-19(27)17(10-14)22-2-1-8-32(22)16-7-9-33-23(12-16)18(13-28-33)24(34)29-15-4-6-20-21(11-15)31-25(35)30-20/h3-7,9-13,22H,1-2,8H2,(H,29,34)(H2,30,31,35)/t22-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 474.47 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71599263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).