2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C20H18N4O2 — CID 46182771

IUPAC2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(Cc3ccccc3)[nH]c2cc(=O)n1Cc1ccccn1
InChIInChI=1S/C20H18N4O2/c1-14-19-17(11-18(25)23(14)13-16-9-5-6-10-21-16)22-24(20(19)26)12-15-7-3-2-4-8-15/h2-11,22H,12-13H2,1H3
InChIKeyGWDCECQGWTWLNM-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.29
Rot. Bonds4

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

2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 46182771) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID46182771
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(Cc3ccccc3)[nH]c2cc(=O)n1Cc1ccccn1
InChIInChI=1S/C20H18N4O2/c1-14-19-17(11-18(25)23(14)13-16-9-5-6-10-21-16)22-24(20(19)26)12-15-7-3-2-4-8-15/h2-11,22H,12-13H2,1H3
InChIKeyGWDCECQGWTWLNM-UHFFFAOYSA-N
XLogP2.29
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.29
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

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CID 1916319
CID 4112136
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CID 25014586
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CID 45110789
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CID 45272910
CID 45272910
CID 49836177
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CID 49836178
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CID 49836179

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 46182771) is 2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1c2c(=O)n(Cc3ccccc3)[nH]c2cc(=O)n1Cc1ccccn1.
What is the InChIKey of 2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is GWDCECQGWTWLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14-19-17(11-18(25)23(14)13-16-9-5-6-10-21-16)22-24(20(19)26)12-15-7-3-2-4-8-15/h2-11,22H,12-13H2,1H3.
What are the key properties of 2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 346.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 46182771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).