3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

C21H21N7O — CID 71834158

IUPAC3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCC(=NNC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1)c1ccnn1C
InChIInChI=1S/C21H21N7O/c1-13-12-17(21(29)25-24-14(2)18-10-11-22-27(18)4)19-15(3)26-28(20(19)23-13)16-8-6-5-7-9-16/h5-12H,1-4H3,(H,25,29)
InChIKeyNSMABNUOEFFBIL-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.92
Rot. Bonds4

About 3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 71834158) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID71834158
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCC(=NNC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1)c1ccnn1C
InChIInChI=1S/C21H21N7O/c1-13-12-17(21(29)25-24-14(2)18-10-11-22-27(18)4)19-15(3)26-28(20(19)23-13)16-8-6-5-7-9-16/h5-12H,1-4H3,(H,25,29)
InChIKeyNSMABNUOEFFBIL-UHFFFAOYSA-N
XLogP2.92
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,6-dimethyl-1-phenyl-N-(2-pyrazol-1-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588387
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588547
N-(4-bromophenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863859
N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 17026180
6-(1,5-dimethylpyrazol-4-yl)-3-methyl-N-[(E)-1-(2-methylpyrazol-3-yl)ethylideneamino]-1-propylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19588413
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920
3,6-dimethyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822880
N-(2-methoxy-5-methylphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927945
3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863832
azepan-1-yl-(3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 20927958
N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
CID 34058388

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 71834158) is 3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide is CC(=NNC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1)c1ccnn1C.
What is the InChIKey of 3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is NSMABNUOEFFBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-13-12-17(21(29)25-24-14(2)18-10-11-22-27(18)4)19-15(3)26-28(20(19)23-13)16-8-6-5-7-9-16/h5-12H,1-4H3,(H,25,29).
What are the key properties of 3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethylideneamino]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 71834158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).