N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C22H18ClFN4O — CID 44823272

IUPACN-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2C)c2c(C)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C22H18ClFN4O/c1-12-4-5-15(23)11-19(12)26-22(29)18-10-13(2)25-21-20(18)14(3)27-28(21)17-8-6-16(24)7-9-17/h4-11H,1-3H3,(H,26,29)
InChIKeyRQBAKFALUMBHMM-UHFFFAOYSA-N
MW408.86 g/mol
LogP5.39
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 44823272) has the molecular formula C22H18ClFN4O and a molecular weight of 408.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID44823272
Molecular FormulaC22H18ClFN4O
Molecular Weight408.86 g/mol
Exact Mass408.12
IUPAC NameN-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2C)c2c(C)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C22H18ClFN4O/c1-12-4-5-15(23)11-19(12)26-22(29)18-10-13(2)25-21-20(18)14(3)27-28(21)17-8-6-16(24)7-9-17/h4-11H,1-3H3,(H,26,29)
InChIKeyRQBAKFALUMBHMM-UHFFFAOYSA-N
XLogP5.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.86
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3,6-dimethyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823192
N-(4-chloro-2-methylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609333
1-(2-chlorophenyl)-N-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863988
5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 9097679
N-(2-ethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928119
N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823026
N-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609443
N-(3,4-dimethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928136
1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854324
1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854062
1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 89369421
N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928182

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 44823272) is N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2cc(Cl)ccc2C)c2c(C)nn(-c3ccc(F)cc3)c2n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is RQBAKFALUMBHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O/c1-12-4-5-15(23)11-19(12)26-22(29)18-10-13(2)25-21-20(18)14(3)27-28(21)17-8-6-16(24)7-9-17/h4-11H,1-3H3,(H,26,29).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 408.86 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44823272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).