5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

C19H15FN4O2 — CID 118352873

IUPAC5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESN#C[C@H]1C[C@H](c2cccc(F)c2)N(c2ccn3ncc(C(=O)O)c3c2)C1
InChIInChI=1S/C19H15FN4O2/c20-14-3-1-2-13(7-14)17-6-12(9-21)11-23(17)15-4-5-24-18(8-15)16(10-22-24)19(25)26/h1-5,7-8,10,12,17H,6,11H2,(H,25,26)/t12-,17-/m1/s1
InChIKeyJSLHMYSCDWNORI-SJKOYZFVSA-N
MW350.35 g/mol
LogP3.26
Rot. Bonds3

About 5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 118352873) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID118352873
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESN#C[C@H]1C[C@H](c2cccc(F)c2)N(c2ccn3ncc(C(=O)O)c3c2)C1
InChIInChI=1S/C19H15FN4O2/c20-14-3-1-2-13(7-14)17-6-12(9-21)11-23(17)15-4-5-24-18(8-15)16(10-22-24)19(25)26/h1-5,7-8,10,12,17H,6,11H2,(H,25,26)/t12-,17-/m1/s1
InChIKeyJSLHMYSCDWNORI-SJKOYZFVSA-N
XLogP3.26
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 72672980
5-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680695
[1-[3-[bis[(4-methoxyphenyl)methyl]carbamoyl]pyrazolo[1,5-a]pyridin-5-yl]-5-(3-fluorophenyl)pyrrolidin-3-yl] methanesulfonate
CID 88921512
1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
CID 130433803
ethyl 5-[(2R,4S)-4-fluoro-2-(3-fluoro-5-isocyanophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 123700192
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-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 56943983
4-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]benzonitrile
CID 129349528
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)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56944950
N-tert-butylsulfonyl-4-fluoro-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127949
N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127945

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 118352873) is 5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is N#C[C@H]1C[C@H](c2cccc(F)c2)N(c2ccn3ncc(C(=O)O)c3c2)C1.
What is the InChIKey of 5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is JSLHMYSCDWNORI-SJKOYZFVSA-N. The full InChI is InChI=1S/C19H15FN4O2/c20-14-3-1-2-13(7-14)17-6-12(9-21)11-23(17)15-4-5-24-18(8-15)16(10-22-24)19(25)26/h1-5,7-8,10,12,17H,6,11H2,(H,25,26)/t12-,17-/m1/s1.
What are the key properties of 5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 350.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-4-cyano-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 118352873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).