(2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide

C23H22F3N5O3 — CID 142504195

IUPAC(2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CC(F)(F)C2)cc1
InChIInChI=1S/C23H22F3N5O3/c1-34-15-4-2-13(3-5-15)22(11-23(25,26)12-22)21(33)31-10-14(24)8-18(31)20(32)29-19-7-6-16-17(28-19)9-27-30-16/h2-7,9,14,18H,8,10-12H2,1H3,(H,27,30)(H,28,29,32)/t14-,18-/m1/s1
InChIKeyTURGXTFEXLEVEN-RDTXWAMCSA-N
MW473.46 g/mol
LogP3.21
Rot. Bonds5

About (2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide

(2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide (PubChem CID 142504195) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is (2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
PubChem CID142504195
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC Name(2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CC(F)(F)C2)cc1
InChIInChI=1S/C23H22F3N5O3/c1-34-15-4-2-13(3-5-15)22(11-23(25,26)12-22)21(33)31-10-14(24)8-18(31)20(32)29-19-7-6-16-17(28-19)9-27-30-16/h2-7,9,14,18H,8,10-12H2,1H3,(H,27,30)(H,28,29,32)/t14-,18-/m1/s1
InChIKeyTURGXTFEXLEVEN-RDTXWAMCSA-N
XLogP3.21
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide (CID 142504195) is (2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide is COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CC(F)(F)C2)cc1.
What is the InChIKey of (2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is TURGXTFEXLEVEN-RDTXWAMCSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-34-15-4-2-13(3-5-15)22(11-23(25,26)12-22)21(33)31-10-14(24)8-18(31)20(32)29-19-7-6-16-17(28-19)9-27-30-16/h2-7,9,14,18H,8,10-12H2,1H3,(H,27,30)(H,28,29,32)/t14-,18-/m1/s1.
What are the key properties of (2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
(2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[3,3-difluoro-1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 142504195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).