3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide

C25H26N4O2 — CID 46306734

IUPAC3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCn2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c(C)c1
InChIInChI=1S/C25H26N4O2/c1-16-10-11-21(17(2)14-16)26-22(30)12-13-28-23(31)15-18(3)24-19(4)27-29(25(24)28)20-8-6-5-7-9-20/h5-11,14-15H,12-13H2,1-4H3,(H,26,30)
InChIKeyCBJWNWBIEYEVCI-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.45
Rot. Bonds5

About 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide

3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 46306734) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide
PubChem CID46306734
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCn2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c(C)c1
InChIInChI=1S/C25H26N4O2/c1-16-10-11-21(17(2)14-16)26-22(30)12-13-28-23(31)15-18(3)24-19(4)27-29(25(24)28)20-8-6-5-7-9-20/h5-11,14-15H,12-13H2,1-4H3,(H,26,30)
InChIKeyCBJWNWBIEYEVCI-UHFFFAOYSA-N
XLogP4.45
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-ethoxyphenyl)propanamide
CID 46306754
N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306737
N-(4-acetylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306760
3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 46306801
3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one
CID 9146991
ethyl 4-carbamoyl-5-[3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate
CID 39774439
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 9147641
3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 39764526
3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
CID 9147164
3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one
CID 9147141
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide
CID 9147333
N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20944208

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide (CID 46306734) is 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCn2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c(C)c1.
What is the InChIKey of 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is CBJWNWBIEYEVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-16-10-11-21(17(2)14-16)26-22(30)12-13-28-23(31)15-18(3)24-19(4)27-29(25(24)28)20-8-6-5-7-9-20/h5-11,14-15H,12-13H2,1-4H3,(H,26,30).
What are the key properties of 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide?
3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 414.51 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 46306734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).