2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one

C23H27N7O — CID 118513934

IUPAC2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2nc(-c3cc(=O)n4cc(N5CCNC(C)(C)C5)cc(C)c4n3)cc(C)c2n1
InChIInChI=1S/C23H27N7O/c1-14-8-17(28-7-6-24-23(4,5)13-28)12-29-20(31)10-18(26-21(14)29)19-9-15(2)22-25-16(3)11-30(22)27-19/h8-12,24H,6-7,13H2,1-5H3
InChIKeyMMSSNJMBKDVTHU-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.52
Rot. Bonds2

About 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one

2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 118513934) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID118513934
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2nc(-c3cc(=O)n4cc(N5CCNC(C)(C)C5)cc(C)c4n3)cc(C)c2n1
InChIInChI=1S/C23H27N7O/c1-14-8-17(28-7-6-24-23(4,5)13-28)12-29-20(31)10-18(26-21(14)29)19-9-15(2)22-25-16(3)11-30(22)27-19/h8-12,24H,6-7,13H2,1-5H3
InChIKeyMMSSNJMBKDVTHU-UHFFFAOYSA-N
XLogP2.52
TPSA79.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 118513934) is 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC(C)(C)C5)cc(C)c4n3)cc(C)c2n1.
What is the InChIKey of 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MMSSNJMBKDVTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-14-8-17(28-7-6-24-23(4,5)13-28)12-29-20(31)10-18(26-21(14)29)19-9-15(2)22-25-16(3)11-30(22)27-19/h8-12,24H,6-7,13H2,1-5H3.
What are the key properties of 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 417.52 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-(3,3-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118513934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).