6-(4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3,7-dione

C19H16N4O3 — CID 156700928

IUPAC6-(4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3,7-dione
SMILESCOc1ccc(-n2ccc3c(=O)n(-c4cccc(C)n4)[nH]c3c2=O)cc1
InChIInChI=1S/C19H16N4O3/c1-12-4-3-5-16(20-12)23-18(24)15-10-11-22(19(25)17(15)21-23)13-6-8-14(26-2)9-7-13/h3-11,21H,1-2H3
InChIKeySLPHHPXMEYJFAX-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.18
Rot. Bonds3

About 6-(4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3,7-dione

6-(4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3,7-dione (PubChem CID 156700928) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3,7-dione.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3,7-dione
PubChem CID156700928
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name6-(4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3,7-dione
SMILESCOc1ccc(-n2ccc3c(=O)n(-c4cccc(C)n4)[nH]c3c2=O)cc1
InChIInChI=1S/C19H16N4O3/c1-12-4-3-5-16(20-12)23-18(24)15-10-11-22(19(25)17(15)21-23)13-6-8-14(26-2)9-7-13/h3-11,21H,1-2H3
InChIKeySLPHHPXMEYJFAX-UHFFFAOYSA-N
XLogP2.18
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3,7-dione?
The IUPAC name of 6-(4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3,7-dione (CID 156700928) is 6-(4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3,7-dione.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3,7-dione?
The canonical SMILES for 6-(4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3,7-dione is COc1ccc(-n2ccc3c(=O)n(-c4cccc(C)n4)[nH]c3c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3,7-dione?
The InChIKey is SLPHHPXMEYJFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12-4-3-5-16(20-12)23-18(24)15-10-11-22(19(25)17(15)21-23)13-6-8-14(26-2)9-7-13/h3-11,21H,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3,7-dione?
6-(4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3,7-dione has a molecular weight of 348.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3,7-dione is sourced from PubChem (CID 156700928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).