1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C22H22N6O — CID 89369421

IUPAC1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)ccnc2C)c2c(C)nn(-c3ccc(N)cc3)c2n1
InChIInChI=1S/C22H22N6O/c1-12-9-10-24-15(4)20(12)26-22(29)18-11-13(2)25-21-19(18)14(3)27-28(21)17-7-5-16(23)6-8-17/h5-11H,23H2,1-4H3,(H,26,29)
InChIKeyUCGYQWWWESHKLV-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.88
Rot. Bonds3

About 1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 89369421) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID89369421
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)ccnc2C)c2c(C)nn(-c3ccc(N)cc3)c2n1
InChIInChI=1S/C22H22N6O/c1-12-9-10-24-15(4)20(12)26-22(29)18-11-13(2)25-21-19(18)14(3)27-28(21)17-7-5-16(23)6-8-17/h5-11H,23H2,1-4H3,(H,26,29)
InChIKeyUCGYQWWWESHKLV-UHFFFAOYSA-N
XLogP3.88
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethyl-1-thiophen-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 71175832
N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823026
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
N-(3,4-dimethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928136
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823272
N-(4-bromophenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863859
N-(2-ethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928119
1-(4-fluorophenyl)-3,6-dimethyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823192
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920
N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928182
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928208
N-(3-chloro-4-methoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928218

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 89369421) is 1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2c(C)ccnc2C)c2c(C)nn(-c3ccc(N)cc3)c2n1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is UCGYQWWWESHKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-12-9-10-24-15(4)20(12)26-22(29)18-11-13(2)25-21-19(18)14(3)27-28(21)17-7-5-16(23)6-8-17/h5-11H,23H2,1-4H3,(H,26,29).
What are the key properties of 1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2,4-dimethyl-3-pyridinyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 89369421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).