5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one

C26H27N5O3 — CID 50839654

IUPAC5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(N2CCN(C(=O)Cn3ccc4c(c(C)nn4-c4ccccc4)c3=O)CC2)cc1
InChIInChI=1S/C26H27N5O3/c1-19-25-23(31(27-19)21-6-4-3-5-7-21)12-13-30(26(25)33)18-24(32)29-16-14-28(15-17-29)20-8-10-22(34-2)11-9-20/h3-13H,14-18H2,1-2H3
InChIKeyFGSWZIAZTOIXPJ-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.85
Rot. Bonds5

About 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one

5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one (PubChem CID 50839654) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one
PubChem CID50839654
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(N2CCN(C(=O)Cn3ccc4c(c(C)nn4-c4ccccc4)c3=O)CC2)cc1
InChIInChI=1S/C26H27N5O3/c1-19-25-23(31(27-19)21-6-4-3-5-7-21)12-13-30(26(25)33)18-24(32)29-16-14-28(15-17-29)20-8-10-22(34-2)11-9-20/h3-13H,14-18H2,1-2H3
InChIKeyFGSWZIAZTOIXPJ-UHFFFAOYSA-N
XLogP2.85
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one
CID 46396103
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-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide
CID 50839728
4-ethyl-7-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
CID 22575842
1-(2-methoxyphenyl)-4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazine-2,3-dione
CID 51364889
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 6985939
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one
CID 100742188
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 30405484
2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 39334214
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone
CID 10090944
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one
CID 5015961
6-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121064411

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one (CID 50839654) is 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one is COc1ccc(N2CCN(C(=O)Cn3ccc4c(c(C)nn4-c4ccccc4)c3=O)CC2)cc1.
What is the InChIKey of 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one?
The InChIKey is FGSWZIAZTOIXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-19-25-23(31(27-19)21-6-4-3-5-7-21)12-13-30(26(25)33)18-24(32)29-16-14-28(15-17-29)20-8-10-22(34-2)11-9-20/h3-13H,14-18H2,1-2H3.
What are the key properties of 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one?
5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one has a molecular weight of 457.53 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-phenylpyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 50839654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).