N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide

C24H24N4O4 — CID 50839728

IUPACN-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide
SMILESCOc1ccc(OC)c(CNC(=O)Cn2ccc3c(c(C)nn3-c3ccccc3)c2=O)c1
InChIInChI=1S/C24H24N4O4/c1-16-23-20(28(26-16)18-7-5-4-6-8-18)11-12-27(24(23)30)15-22(29)25-14-17-13-19(31-2)9-10-21(17)32-3/h4-13H,14-15H2,1-3H3,(H,25,29)
InChIKeyMLGYYZCOSJAFIU-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.83
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide

N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide (PubChem CID 50839728) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide
PubChem CID50839728
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide
SMILESCOc1ccc(OC)c(CNC(=O)Cn2ccc3c(c(C)nn3-c3ccccc3)c2=O)c1
InChIInChI=1S/C24H24N4O4/c1-16-23-20(28(26-16)18-7-5-4-6-8-18)11-12-27(24(23)30)15-22(29)25-14-17-13-19(31-2)9-10-21(17)32-3/h4-13H,14-15H2,1-3H3,(H,25,29)
InChIKeyMLGYYZCOSJAFIU-UHFFFAOYSA-N
XLogP2.83
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide
CID 50839920
N-[(2,5-dimethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
CID 50798836
N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768132
(2S)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
CID 92505460
5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one
CID 50839654
N-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 33103569
(2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide
CID 92691489
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 71848842
2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 46396099
(2R)-N-[(2,5-dimethoxyphenyl)methyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)butanamide
CID 95075103
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 20932051
2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 78807072

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide (CID 50839728) is N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide is COc1ccc(OC)c(CNC(=O)Cn2ccc3c(c(C)nn3-c3ccccc3)c2=O)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide?
The InChIKey is MLGYYZCOSJAFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-16-23-20(28(26-16)18-7-5-4-6-8-18)11-12-27(24(23)30)15-22(29)25-14-17-13-19(31-2)9-10-21(17)32-3/h4-13H,14-15H2,1-3H3,(H,25,29).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide?
N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide has a molecular weight of 432.48 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 50839728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).