5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C15H18N6O2 — CID 66494969

IUPAC5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(-c3ncccn3)[nH]c2cc(=O)n1CCN(C)C
InChIInChI=1S/C15H18N6O2/c1-10-13-11(9-12(22)20(10)8-7-19(2)3)18-21(14(13)23)15-16-5-4-6-17-15/h4-6,9,18H,7-8H2,1-3H3
InChIKeyFNBSJWGBFJPJCT-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.14
Rot. Bonds4

About 5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66494969) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66494969
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(-c3ncccn3)[nH]c2cc(=O)n1CCN(C)C
InChIInChI=1S/C15H18N6O2/c1-10-13-11(9-12(22)20(10)8-7-19(2)3)18-21(14(13)23)15-16-5-4-6-17-15/h4-6,9,18H,7-8H2,1-3H3
InChIKeyFNBSJWGBFJPJCT-UHFFFAOYSA-N
XLogP0.14
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66494969) is 5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1c2c(=O)n(-c3ncccn3)[nH]c2cc(=O)n1CCN(C)C.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is FNBSJWGBFJPJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-10-13-11(9-12(22)20(10)8-7-19(2)3)18-21(14(13)23)15-16-5-4-6-17-15/h4-6,9,18H,7-8H2,1-3H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 314.35 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66494969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).