3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide

C23H22N4O2 — CID 20863684

IUPAC3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide
SMILESCc1nc2[nH]n(-c3ccccc3)c(=O)c2c(C)c1CCC(=O)Nc1ccccc1
InChIInChI=1S/C23H22N4O2/c1-15-19(13-14-20(28)25-17-9-5-3-6-10-17)16(2)24-22-21(15)23(29)27(26-22)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyNYBGNOGFVBNTEM-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.90
Rot. Bonds5

About 3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide

3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide (PubChem CID 20863684) has the molecular formula C23H22N4O2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide
PubChem CID20863684
Molecular FormulaC23H22N4O2
Molecular Weight386.45 g/mol
Exact Mass386.17
IUPAC Name3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide
SMILESCc1nc2[nH]n(-c3ccccc3)c(=O)c2c(C)c1CCC(=O)Nc1ccccc1
InChIInChI=1S/C23H22N4O2/c1-15-19(13-14-20(28)25-17-9-5-3-6-10-17)16(2)24-22-21(15)23(29)27(26-22)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyNYBGNOGFVBNTEM-UHFFFAOYSA-N
XLogP3.90
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763
N-(4-chlorophenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602910
N-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 119438546
N-(4-methylphenyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604260
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-phenylpropanamide
CID 17460504
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide
CID 50796242
N-(3-chloro-4-methoxyphenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602953
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide
CID 50796208
N-(3,4-dimethylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864152
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(3-methoxyphenyl)propanamide
CID 50796406
N-[2-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119440528

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide?
The IUPAC name of 3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide (CID 20863684) is 3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide is Cc1nc2[nH]n(-c3ccccc3)c(=O)c2c(C)c1CCC(=O)Nc1ccccc1.
What is the InChIKey of 3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide?
The InChIKey is NYBGNOGFVBNTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-19(13-14-20(28)25-17-9-5-3-6-10-17)16(2)24-22-21(15)23(29)27(26-22)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H,24,26)(H,25,28).
What are the key properties of 3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide?
3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide has a molecular weight of 386.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide is sourced from PubChem (CID 20863684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).