5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C16H17N5O2 — CID 66495193

IUPAC5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1cc(C)nc(-n2[nH]c3cc(=O)n(C4CC4)c(C)c3c2=O)n1
InChIInChI=1S/C16H17N5O2/c1-8-6-9(2)18-16(17-8)21-15(23)14-10(3)20(11-4-5-11)13(22)7-12(14)19-21/h6-7,11,19H,4-5H2,1-3H3
InChIKeyVIGOITUDYDAPJJ-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.53
Rot. Bonds2

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

5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66495193) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66495193
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1cc(C)nc(-n2[nH]c3cc(=O)n(C4CC4)c(C)c3c2=O)n1
InChIInChI=1S/C16H17N5O2/c1-8-6-9(2)18-16(17-8)21-15(23)14-10(3)20(11-4-5-11)13(22)7-12(14)19-21/h6-7,11,19H,4-5H2,1-3H3
InChIKeyVIGOITUDYDAPJJ-UHFFFAOYSA-N
XLogP1.53
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.53
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 5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66495193) is 5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1cc(C)nc(-n2[nH]c3cc(=O)n(C4CC4)c(C)c3c2=O)n1.
What is the InChIKey of 5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is VIGOITUDYDAPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-8-6-9(2)18-16(17-8)21-15(23)14-10(3)20(11-4-5-11)13(22)7-12(14)19-21/h6-7,11,19H,4-5H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 311.35 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66495193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).