2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C24H26N6O3 — CID 58358181

IUPAC2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCOc1ccccc1-n1[nH]c2cc(=O)n(C)c(CN3CCN(c4ccccn4)CC3)c2c1=O
InChIInChI=1S/C24H26N6O3/c1-27-19(16-28-11-13-29(14-12-28)21-9-5-6-10-25-21)23-17(15-22(27)31)26-30(24(23)32)18-7-3-4-8-20(18)33-2/h3-10,15,26H,11-14,16H2,1-2H3
InChIKeyCTRFVZMHMDQEMA-UHFFFAOYSA-N
MW446.51 g/mol
LogP1.74
Rot. Bonds5

About 2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione

2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 58358181) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID58358181
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCOc1ccccc1-n1[nH]c2cc(=O)n(C)c(CN3CCN(c4ccccn4)CC3)c2c1=O
InChIInChI=1S/C24H26N6O3/c1-27-19(16-28-11-13-29(14-12-28)21-9-5-6-10-25-21)23-17(15-22(27)31)26-30(24(23)32)18-7-3-4-8-20(18)33-2/h3-10,15,26H,11-14,16H2,1-2H3
InChIKeyCTRFVZMHMDQEMA-UHFFFAOYSA-N
XLogP1.74
TPSA88.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 10131909
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108530749
1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 791258
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
CID 28078
ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyrazole-4-carboxylate
CID 26341960
1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
CID 133315766
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine
CID 21120027
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
ethyl (4S)-4-(4-ethoxy-3-methoxyphenyl)-2-oxo-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 95184166
ethyl (4R)-4-(4-ethoxy-3-methoxyphenyl)-2-oxo-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 95184165
7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90268021

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 58358181) is 2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione is COc1ccccc1-n1[nH]c2cc(=O)n(C)c(CN3CCN(c4ccccn4)CC3)c2c1=O.
What is the InChIKey of 2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is CTRFVZMHMDQEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-27-19(16-28-11-13-29(14-12-28)21-9-5-6-10-25-21)23-17(15-22(27)31)26-30(24(23)32)18-7-3-4-8-20(18)33-2/h3-10,15,26H,11-14,16H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 446.51 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 58358181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).