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

C23H22N4O4 — CID 50839920

IUPACN-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2ccc3c(c(C)nn3-c3ccccc3)c2=O)cc(OC)c1
InChIInChI=1S/C23H22N4O4/c1-15-22-20(27(25-15)17-7-5-4-6-8-17)9-10-26(23(22)29)14-21(28)24-16-11-18(30-2)13-19(12-16)31-3/h4-13H,14H2,1-3H3,(H,24,28)
InChIKeyRFLONKUSSZXGBV-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.15
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide (PubChem CID 50839920) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide
PubChem CID50839920
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2ccc3c(c(C)nn3-c3ccccc3)c2=O)cc(OC)c1
InChIInChI=1S/C23H22N4O4/c1-15-22-20(27(25-15)17-7-5-4-6-8-17)9-10-26(23(22)29)14-21(28)24-16-11-18(30-2)13-19(12-16)31-3/h4-13H,14H2,1-3H3,(H,24,28)
InChIKeyRFLONKUSSZXGBV-UHFFFAOYSA-N
XLogP3.15
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide
CID 50839728
5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one
CID 50839654
N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956857
N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086660
N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396038
1-(3,5-dimethoxyphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea
CID 22580593
2-anilino-N-(3,5-dimethoxyphenyl)acetamide
CID 51178238
2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(3-methoxyphenyl)acetamide
CID 22575889
N-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 30849747
N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71821989
2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423901
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide (CID 50839920) is N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide is COc1cc(NC(=O)Cn2ccc3c(c(C)nn3-c3ccccc3)c2=O)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide?
The InChIKey is RFLONKUSSZXGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-15-22-20(27(25-15)17-7-5-4-6-8-17)9-10-26(23(22)29)14-21(28)24-16-11-18(30-2)13-19(12-16)31-3/h4-13H,14H2,1-3H3,(H,24,28).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide?
N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide has a molecular weight of 418.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 50839920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).