1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide

C18H15F2N5O2 — CID 86843582

IUPAC1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1[nH]nc2ncc(NC(=O)C3CC(=O)N(c4cc(F)cc(F)c4)C3)cc12
InChIInChI=1S/C18H15F2N5O2/c1-9-15-6-13(7-21-17(15)24-23-9)22-18(27)10-2-16(26)25(8-10)14-4-11(19)3-12(20)5-14/h3-7,10H,2,8H2,1H3,(H,22,27)(H,21,23,24)
InChIKeyOGTRMKPUDZBNOY-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.54
Rot. Bonds3

About 1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide

1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 86843582) has the molecular formula C18H15F2N5O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID86843582
Molecular FormulaC18H15F2N5O2
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC Name1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1[nH]nc2ncc(NC(=O)C3CC(=O)N(c4cc(F)cc(F)c4)C3)cc12
InChIInChI=1S/C18H15F2N5O2/c1-9-15-6-13(7-21-17(15)24-23-9)22-18(27)10-2-16(26)25(8-10)14-4-11(19)3-12(20)5-14/h3-7,10H,2,8H2,1H3,(H,22,27)(H,21,23,24)
InChIKeyOGTRMKPUDZBNOY-UHFFFAOYSA-N
XLogP2.54
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 129380873
1-(1-methylazetidin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 167903719
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 139010453
1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 60564340
(3S)-N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 680186
(3R)-N-(3-fluoro-4-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528944
(3R)-N-(3,5-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350735
1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 163254884
(3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 755530
(3S)-1-(3,5-difluorophenyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 52528075
N-(4-bromo-3-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 84899063
(3R)-N-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 875351

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 86843582) is 1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide is Cc1[nH]nc2ncc(NC(=O)C3CC(=O)N(c4cc(F)cc(F)c4)C3)cc12.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OGTRMKPUDZBNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O2/c1-9-15-6-13(7-21-17(15)24-23-9)22-18(27)10-2-16(26)25(8-10)14-4-11(19)3-12(20)5-14/h3-7,10H,2,8H2,1H3,(H,22,27)(H,21,23,24).
What are the key properties of 1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide?
1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 371.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 86843582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).