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

C27H30N4O2 — CID 46306737

IUPACN-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCn1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C27H30N4O2/c1-5-20-11-10-12-21(6-2)26(20)28-23(32)15-16-30-24(33)17-18(3)25-19(4)29-31(27(25)30)22-13-8-7-9-14-22/h7-14,17H,5-6,15-16H2,1-4H3,(H,28,32)
InChIKeyVNJZZLWVXLIKKW-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.96
Rot. Bonds7

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

N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide (PubChem CID 46306737) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
PubChem CID46306737
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCn1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C27H30N4O2/c1-5-20-11-10-12-21(6-2)26(20)28-23(32)15-16-30-24(33)17-18(3)25-19(4)29-31(27(25)30)22-13-8-7-9-14-22/h7-14,17H,5-6,15-16H2,1-4H3,(H,28,32)
InChIKeyVNJZZLWVXLIKKW-UHFFFAOYSA-N
XLogP4.96
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.96
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-(2,4-dimethylphenyl)propanamide
CID 46306734
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-(2-ethoxyphenyl)propanamide
CID 46306754
3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one
CID 9146991
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
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
N-(2,6-diethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763943
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 9147641
3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
CID 9147164
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide
CID 9147333
3,4-dimethyl-1-phenyl-7-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-b]pyridin-6-one
CID 9147141
N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
CID 46306702

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide (CID 46306737) is N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide is CCc1cccc(CC)c1NC(=O)CCn1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21.
What is the InChIKey of N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?
The InChIKey is VNJZZLWVXLIKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-5-20-11-10-12-21(6-2)26(20)28-23(32)15-16-30-24(33)17-18(3)25-19(4)29-31(27(25)30)22-13-8-7-9-14-22/h7-14,17H,5-6,15-16H2,1-4H3,(H,28,32).
What are the key properties of N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?
N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide has a molecular weight of 442.56 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide is sourced from PubChem (CID 46306737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).