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

C20H17ClN4O3 — CID 71557325

IUPAC2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCOc1ccc(Cn2c(C)c3c(=O)n(-c4ccccc4Cl)[nH]c3cc2=O)cn1
InChIInChI=1S/C20H17ClN4O3/c1-12-19-15(23-25(20(19)27)16-6-4-3-5-14(16)21)9-18(26)24(12)11-13-7-8-17(28-2)22-10-13/h3-10,23H,11H2,1-2H3
InChIKeyVACYOAJGIBICEJ-UHFFFAOYSA-N
MW396.83 g/mol
LogP2.89
Rot. Bonds4

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

2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 71557325) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID71557325
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC Name2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCOc1ccc(Cn2c(C)c3c(=O)n(-c4ccccc4Cl)[nH]c3cc2=O)cn1
InChIInChI=1S/C20H17ClN4O3/c1-12-19-15(23-25(20(19)27)16-6-4-3-5-14(16)21)9-18(26)24(12)11-13-7-8-17(28-2)22-10-13/h3-10,23H,11H2,1-2H3
InChIKeyVACYOAJGIBICEJ-UHFFFAOYSA-N
XLogP2.89
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 52.89
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
4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 4112136
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-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 71557497
4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 71557326
4-(3-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 71558146
2-(1,3-benzothiazol-3-ium-2-yl)-5-[(4-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42569168
2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358057
2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358054
4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358132
5-[(Z)-2,3-bis(methylideneamino)prop-2-enyl]-2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 143962614
2-(4-fluorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42537056

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 71557325) is 2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is COc1ccc(Cn2c(C)c3c(=O)n(-c4ccccc4Cl)[nH]c3cc2=O)cn1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is VACYOAJGIBICEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-12-19-15(23-25(20(19)27)16-6-4-3-5-14(16)21)9-18(26)24(12)11-13-7-8-17(28-2)22-10-13/h3-10,23H,11H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 396.83 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 71557325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).