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

C25H26N4O3 — CID 46306754

IUPAC3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCn1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C25H26N4O3/c1-4-32-21-13-9-8-12-20(21)26-22(30)14-15-28-23(31)16-17(2)24-18(3)27-29(25(24)28)19-10-6-5-7-11-19/h5-13,16H,4,14-15H2,1-3H3,(H,26,30)
InChIKeyHNJZKLKFASEUJJ-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.23
Rot. Bonds7

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

3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-ethoxyphenyl)propanamide (PubChem CID 46306754) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-ethoxyphenyl)propanamide
PubChem CID46306754
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCn1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C25H26N4O3/c1-4-32-21-13-9-8-12-20(21)26-22(30)14-15-28-23(31)16-17(2)24-18(3)27-29(25(24)28)19-10-6-5-7-11-19/h5-13,16H,4,14-15H2,1-3H3,(H,26,30)
InChIKeyHNJZKLKFASEUJJ-UHFFFAOYSA-N
XLogP4.23
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(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
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-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethoxyphenyl)acetamide
CID 50799165
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
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 9147641
2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(2-methoxyphenyl)acetamide
CID 22575831
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

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-ethoxyphenyl)propanamide?
The IUPAC name of 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-ethoxyphenyl)propanamide (CID 46306754) is 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCn1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21.
What is the InChIKey of 3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is HNJZKLKFASEUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-4-32-21-13-9-8-12-20(21)26-22(30)14-15-28-23(31)16-17(2)24-18(3)27-29(25(24)28)19-10-6-5-7-11-19/h5-13,16H,4,14-15H2,1-3H3,(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-ethoxyphenyl)propanamide?
3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 430.51 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-ethoxyphenyl)propanamide is sourced from PubChem (CID 46306754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).