N-[3-fluoro-4-[[5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide

C26H24FN5O4 — CID 91448785

IUPACN-[3-fluoro-4-[[5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cc2cnc3n[nH]c(C)c3c2Oc2ccc(NC(=O)C3CCNC3=O)cc2F)cc1
InChIInChI=1S/C26H24FN5O4/c1-14-22-23(16(13-29-24(22)32-31-14)11-15-3-6-18(35-2)7-4-15)36-21-8-5-17(12-20(21)27)30-26(34)19-9-10-28-25(19)33/h3-8,12-13,19H,9-11H2,1-2H3,(H,28,33)(H,30,34)(H,29,31,32)
InChIKeyOAYPTRUQVBYDJL-UHFFFAOYSA-N
MW489.51 g/mol
LogP3.87
Rot. Bonds7

About N-[3-fluoro-4-[[5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide

N-[3-fluoro-4-[[5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 91448785) has the molecular formula C26H24FN5O4 and a molecular weight of 489.51 g/mol. Its IUPAC name is N-[3-fluoro-4-[[5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID91448785
Molecular FormulaC26H24FN5O4
Molecular Weight489.51 g/mol
Exact Mass489.18
IUPAC NameN-[3-fluoro-4-[[5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cc2cnc3n[nH]c(C)c3c2Oc2ccc(NC(=O)C3CCNC3=O)cc2F)cc1
InChIInChI=1S/C26H24FN5O4/c1-14-22-23(16(13-29-24(22)32-31-14)11-15-3-6-18(35-2)7-4-15)36-21-8-5-17(12-20(21)27)30-26(34)19-9-10-28-25(19)33/h3-8,12-13,19H,9-11H2,1-2H3,(H,28,33)(H,30,34)(H,29,31,32)
InChIKeyOAYPTRUQVBYDJL-UHFFFAOYSA-N
XLogP3.87
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-dichloro-4-nitrophenoxy)-5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine
CID 91466610
(3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
CID 807343
N-[3-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)phenyl]pyrazolo[3,4-b]pyridin-4-yl]oxyphenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 68514554
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473
1-N'-[3,5-dichloro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 24876679
N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 10133422
1-N'-[3-fluoro-4-[6-methoxy-7-(methylamino)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 130443881
N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 66669362
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide
CID 91157139
(3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide
CID 142869347
1-N'-[3-fluoro-4-[2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 90644959

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide (CID 91448785) is N-[3-fluoro-4-[[5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide is COc1ccc(Cc2cnc3n[nH]c(C)c3c2Oc2ccc(NC(=O)C3CCNC3=O)cc2F)cc1.
What is the InChIKey of N-[3-fluoro-4-[[5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is OAYPTRUQVBYDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O4/c1-14-22-23(16(13-29-24(22)32-31-14)11-15-3-6-18(35-2)7-4-15)36-21-8-5-17(12-20(21)27)30-26(34)19-9-10-28-25(19)33/h3-8,12-13,19H,9-11H2,1-2H3,(H,28,33)(H,30,34)(H,29,31,32).
What are the key properties of N-[3-fluoro-4-[[5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide?
N-[3-fluoro-4-[[5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 489.51 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[5-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 91448785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).