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

C23H23N3O4 — CID 58358207

IUPAC5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCOc1cccc(Cn2c(COCc3ccccc3)c3c(=O)n(C)[nH]c3cc2=O)c1
InChIInChI=1S/C23H23N3O4/c1-25-23(28)22-19(24-25)12-21(27)26(13-17-9-6-10-18(11-17)29-2)20(22)15-30-14-16-7-4-3-5-8-16/h3-12,24H,13-15H2,1-2H3
InChIKeyDTVBYIPILBIHBT-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.80
Rot. Bonds7

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

5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 58358207) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID58358207
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCOc1cccc(Cn2c(COCc3ccccc3)c3c(=O)n(C)[nH]c3cc2=O)c1
InChIInChI=1S/C23H23N3O4/c1-25-23(28)22-19(24-25)12-21(27)26(13-17-9-6-10-18(11-17)29-2)20(22)15-30-14-16-7-4-3-5-8-16/h3-12,24H,13-15H2,1-2H3
InChIKeyDTVBYIPILBIHBT-UHFFFAOYSA-N
XLogP2.80
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358136
2-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-[(3-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 143962684
2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358054
4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione
CID 4791207
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)-5-[2-(methylaminomethyl)butyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 143962609
4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 24689583
3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione
CID 91254141
1-methoxy-3,5-bis(phenylmethoxymethyl)benzene
CID 22899511
N-[3-[[3,6-dioxo-2-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide
CID 58358038
6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione
CID 118869707
4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 4112136

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 58358207) is 5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is COc1cccc(Cn2c(COCc3ccccc3)c3c(=O)n(C)[nH]c3cc2=O)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is DTVBYIPILBIHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-25-23(28)22-19(24-25)12-21(27)26(13-17-9-6-10-18(11-17)29-2)20(22)15-30-14-16-7-4-3-5-8-16/h3-12,24H,13-15H2,1-2H3.
What are the key properties of 5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 405.45 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 58358207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).