7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one

C21H24N8O — CID 139394926

IUPAC7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(-c3cc(=O)n4cc(N5CC(C)NC(C)C5)cc(C)c4n3)nn2n1
InChIInChI=1S/C21H24N8O/c1-12-7-16(27-9-13(2)22-14(3)10-27)11-28-20(30)8-18(24-21(12)28)17-5-6-19-23-15(4)25-29(19)26-17/h5-8,11,13-14,22H,9-10H2,1-4H3
InChIKeyIZOYOARFFQCIMP-UHFFFAOYSA-N
MW404.48 g/mol
LogP1.60
Rot. Bonds2

About 7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one

7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 139394926) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is 7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID139394926
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(-c3cc(=O)n4cc(N5CC(C)NC(C)C5)cc(C)c4n3)nn2n1
InChIInChI=1S/C21H24N8O/c1-12-7-16(27-9-13(2)22-14(3)10-27)11-28-20(30)8-18(24-21(12)28)17-5-6-19-23-15(4)25-29(19)26-17/h5-8,11,13-14,22H,9-10H2,1-4H3
InChIKeyIZOYOARFFQCIMP-UHFFFAOYSA-N
XLogP1.60
TPSA92.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one (CID 139394926) is 7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccc(-c3cc(=O)n4cc(N5CC(C)NC(C)C5)cc(C)c4n3)nn2n1.
What is the InChIKey of 7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IZOYOARFFQCIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c1-12-7-16(27-9-13(2)22-14(3)10-27)11-28-20(30)8-18(24-21(12)28)17-5-6-19-23-15(4)25-29(19)26-17/h5-8,11,13-14,22H,9-10H2,1-4H3.
What are the key properties of 7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one?
7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 404.48 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 139394926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).