1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone

C19H17F2N3O2 — CID 130433803

IUPAC1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnn2ccc(N3C[C@H](O)C[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C19H17F2N3O2/c1-11(25)16-9-22-24-5-4-13(7-19(16)24)23-10-14(26)8-18(23)15-6-12(20)2-3-17(15)21/h2-7,9,14,18,26H,8,10H2,1H3/t14-,18-/m1/s1
InChIKeyONUXGRATYVLFMQ-RDTXWAMCSA-N
MW357.36 g/mol
LogP3.13
Rot. Bonds3

About 1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone

1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone (PubChem CID 130433803) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
PubChem CID130433803
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnn2ccc(N3C[C@H](O)C[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C19H17F2N3O2/c1-11(25)16-9-22-24-5-4-13(7-19(16)24)23-10-14(26)8-18(23)15-6-12(20)2-3-17(15)21/h2-7,9,14,18,26H,8,10H2,1H3/t14-,18-/m1/s1
InChIKeyONUXGRATYVLFMQ-RDTXWAMCSA-N
XLogP3.13
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[(4S)-2-(2,5-difluorophenyl)-4-propan-2-ylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 130440418
5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599349
sodium tert-butylsulfonyl-[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]azanide
CID 140675019
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
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-[3-(hydroxymethyl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127418
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]pyrazolo[1,5-a]pyridin-3-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 78127733
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598716
1-[5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
CID 130433801
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The IUPAC name of 1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone (CID 130433803) is 1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone is CC(=O)c1cnn2ccc(N3C[C@H](O)C[C@@H]3c3cc(F)ccc3F)cc12.
What is the InChIKey of 1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The InChIKey is ONUXGRATYVLFMQ-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-11(25)16-9-22-24-5-4-13(7-19(16)24)23-10-14(26)8-18(23)15-6-12(20)2-3-17(15)21/h2-7,9,14,18,26H,8,10H2,1H3/t14-,18-/m1/s1.
What are the key properties of 1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone?
1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone has a molecular weight of 357.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 130433803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).