2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C21H18ClN3O3 — CID 58358054

IUPAC2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCn1c(COCc2ccccc2)c2c(=O)n(-c3ccccc3Cl)[nH]c2cc1=O
InChIInChI=1S/C21H18ClN3O3/c1-24-18(13-28-12-14-7-3-2-4-8-14)20-16(11-19(24)26)23-25(21(20)27)17-10-6-5-9-15(17)22/h2-11,23H,12-13H2,1H3
InChIKeyVOSDIQDPMXJBIK-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.39
Rot. Bonds5

About 2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 58358054) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID58358054
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCn1c(COCc2ccccc2)c2c(=O)n(-c3ccccc3Cl)[nH]c2cc1=O
InChIInChI=1S/C21H18ClN3O3/c1-24-18(13-28-12-14-7-3-2-4-8-14)20-16(11-19(24)26)23-25(21(20)27)17-10-6-5-9-15(17)22/h2-11,23H,12-13H2,1H3
InChIKeyVOSDIQDPMXJBIK-UHFFFAOYSA-N
XLogP3.39
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358132
2-(2-chlorophenyl)-5-methyl-4-(1-phenylmethoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58496384
2-(2-chlorophenyl)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358159
2-(2-chlorophenyl)-5-[2-(methylaminomethyl)butyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 143962609
2-(2-chlorophenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358105
2-(2-chlorophenyl)-4-(3-ethylphenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 158842499
2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358187
2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358057
4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358197
2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358136
5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358207
2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 71557325

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 58358054) is 2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cn1c(COCc2ccccc2)c2c(=O)n(-c3ccccc3Cl)[nH]c2cc1=O.
What is the InChIKey of 2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is VOSDIQDPMXJBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-24-18(13-28-12-14-7-3-2-4-8-14)20-16(11-19(24)26)23-25(21(20)27)17-10-6-5-9-15(17)22/h2-11,23H,12-13H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 395.85 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 58358054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).