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

C22H24FN7O3 — CID 146500308

IUPAC(2R,4R)-4-fluoro-1-[1-(2-methoxypyrimidin-5-yl)cyclopentanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
SMILESCOc1ncc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCC2)cn1
InChIInChI=1S/C22H24FN7O3/c1-33-21-24-9-13(10-25-21)22(6-2-3-7-22)20(32)30-12-14(23)8-17(30)19(31)28-18-5-4-15-16(27-18)11-26-29-15/h4-5,9-11,14,17H,2-3,6-8,12H2,1H3,(H,26,29)(H,27,28,31)/t14-,17-/m1/s1
InChIKeyNGSDFBCZIDUEMY-RHSMWYFYSA-N
MW453.48 g/mol
LogP2.15
Rot. Bonds5

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

(2R,4R)-4-fluoro-1-[1-(2-methoxypyrimidin-5-yl)cyclopentanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide (PubChem CID 146500308) has the molecular formula C22H24FN7O3 and a molecular weight of 453.48 g/mol. Its IUPAC name is (2R,4R)-4-fluoro-1-[1-(2-methoxypyrimidin-5-yl)cyclopentanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-fluoro-1-[1-(2-methoxypyrimidin-5-yl)cyclopentanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
PubChem CID146500308
Molecular FormulaC22H24FN7O3
Molecular Weight453.48 g/mol
Exact Mass453.19
IUPAC Name(2R,4R)-4-fluoro-1-[1-(2-methoxypyrimidin-5-yl)cyclopentanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
SMILESCOc1ncc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCC2)cn1
InChIInChI=1S/C22H24FN7O3/c1-33-21-24-9-13(10-25-21)22(6-2-3-7-22)20(32)30-12-14(23)8-17(30)19(31)28-18-5-4-15-16(27-18)11-26-29-15/h4-5,9-11,14,17H,2-3,6-8,12H2,1H3,(H,26,29)(H,27,28,31)/t14-,17-/m1/s1
InChIKeyNGSDFBCZIDUEMY-RHSMWYFYSA-N
XLogP2.15
TPSA125.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 142504351
(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-hydroxyphenyl)cyclohexanecarbonyl]-4-fluoropyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl 5-[[(2R,4R)-1-[4,4-difluoro-1-(4-phenylmethoxyphenyl)cyclohexanecarbonyl]-4-fluoropyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl 5-[[(2R,4R)-1-[4,4-difluoro-1-[4-(trideuteriomethoxy)phenyl]cyclohexanecarbonyl]-4-fluoropyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl 5-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;4,4-difluoro-1-(4-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid;(2R,4R)-1-[4,4-difluoro-1-[4-(trideuteriomethoxy)phenyl]cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 158469541
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
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
(2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
CID 142504138
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
(2S,4R)-4-fluoro-2-[[2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 126622904
tert-butyl 4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126615712
(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
(2R)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-N-phenylpyrrolidine-2-carboxamide
CID 146500299
methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate
CID 142504337

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-fluoro-1-[1-(2-methoxypyrimidin-5-yl)cyclopentanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (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) is (2R,4R)-4-fluoro-1-[1-(2-methoxypyrimidin-5-yl)cyclopentanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-fluoro-1-[1-(2-methoxypyrimidin-5-yl)cyclopentanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-fluoro-1-[1-(2-methoxypyrimidin-5-yl)cyclopentanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide is COc1ncc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCC2)cn1.
What is the InChIKey of (2R,4R)-4-fluoro-1-[1-(2-methoxypyrimidin-5-yl)cyclopentanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is NGSDFBCZIDUEMY-RHSMWYFYSA-N. The full InChI is InChI=1S/C22H24FN7O3/c1-33-21-24-9-13(10-25-21)22(6-2-3-7-22)20(32)30-12-14(23)8-17(30)19(31)28-18-5-4-15-16(27-18)11-26-29-15/h4-5,9-11,14,17H,2-3,6-8,12H2,1H3,(H,26,29)(H,27,28,31)/t14-,17-/m1/s1.
What are the key properties of (2R,4R)-4-fluoro-1-[1-(2-methoxypyrimidin-5-yl)cyclopentanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
(2R,4R)-4-fluoro-1-[1-(2-methoxypyrimidin-5-yl)cyclopentanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 453.48 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-fluoro-1-[1-(2-methoxypyrimidin-5-yl)cyclopentanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 146500308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).