(2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide

C26H28FN5O3 — CID 142504351

IUPAC(2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1
InChIInChI=1S/C26H28FN5O3/c1-16(33)17-5-7-18(8-6-17)26(11-3-2-4-12-26)25(35)32-15-19(27)13-22(32)24(34)30-23-10-9-20-21(29-23)14-28-31-20/h5-10,14,19,22H,2-4,11-13,15H2,1H3,(H,28,31)(H,29,30,34)/t19-,22-/m1/s1
InChIKeyYXGBNLULLTXRSF-DENIHFKCSA-N
MW477.54 g/mol
LogP3.94
Rot. Bonds5

About (2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide

(2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide (PubChem CID 142504351) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is (2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
PubChem CID142504351
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC Name(2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1
InChIInChI=1S/C26H28FN5O3/c1-16(33)17-5-7-18(8-6-17)26(11-3-2-4-12-26)25(35)32-15-19(27)13-22(32)24(34)30-23-10-9-20-21(29-23)14-28-31-20/h5-10,14,19,22H,2-4,11-13,15H2,1H3,(H,28,31)(H,29,30,34)/t19-,22-/m1/s1
InChIKeyYXGBNLULLTXRSF-DENIHFKCSA-N
XLogP3.94
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2R,4R)-4-fluoro-1-[1-(2-methoxypyrimidin-5-yl)cyclopentanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 146500308
(2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(2-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 142504326
tert-butyl 5-[[(2R,4R)-1-[4,4-difluoro-1-(4-methoxycarbonylphenyl)cyclohexanecarbonyl]-4-fluoropyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate
CID 142504097
(2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
CID 142504138
tert-butyl 5-[[(2R,4R)-1-[4,4-difluoro-1-(3-fluoro-4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoropyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate
CID 142504042
(2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide
CID 70708310
(2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide
CID 169171816
tert-butyl 5-[[(2R,4S)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-phenylmethoxypyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate
CID 142504347
N-methyl-1H-pyrazolo[4,5-b]pyridin-5-amine
CID 144643083
tert-butyl 4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126615712
N-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide
CID 70707420
(2S,4R)-1-[2-[3-acetyl-5-[1-(2-oxo-2-pyrimidin-2-ylethyl)cyclopropyl]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 160824871

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide (CID 142504351) is (2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide is CC(=O)c1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1.
What is the InChIKey of (2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is YXGBNLULLTXRSF-DENIHFKCSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-16(33)17-5-7-18(8-6-17)26(11-3-2-4-12-26)25(35)32-15-19(27)13-22(32)24(34)30-23-10-9-20-21(29-23)14-28-31-20/h5-10,14,19,22H,2-4,11-13,15H2,1H3,(H,28,31)(H,29,30,34)/t19-,22-/m1/s1.
What are the key properties of (2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
(2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 142504351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).