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

C20H22N8O — CID 137374531

IUPAC7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(-c3cc(=O)n4cc(N5CCC(N(C)C)C5)ccc4n3)nn2n1
InChIInChI=1S/C20H22N8O/c1-13-21-19-7-5-16(24-28(19)23-13)17-10-20(29)27-12-15(4-6-18(27)22-17)26-9-8-14(11-26)25(2)3/h4-7,10,12,14H,8-9,11H2,1-3H3
InChIKeyWRJHCOBZNADABZ-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.25
Rot. Bonds3

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

7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 137374531) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 7-[3-(dimethylamino)pyrrolidin-1-yl]-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-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID137374531
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(-c3cc(=O)n4cc(N5CCC(N(C)C)C5)ccc4n3)nn2n1
InChIInChI=1S/C20H22N8O/c1-13-21-19-7-5-16(24-28(19)23-13)17-10-20(29)27-12-15(4-6-18(27)22-17)26-9-8-14(11-26)25(2)3/h4-7,10,12,14H,8-9,11H2,1-3H3
InChIKeyWRJHCOBZNADABZ-UHFFFAOYSA-N
XLogP1.25
TPSA83.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[3-(dimethylamino)pyrrolidin-1-yl]-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-(dimethylamino)pyrrolidin-1-yl]-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-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one (CID 137374531) is 7-[3-(dimethylamino)pyrrolidin-1-yl]-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-(dimethylamino)pyrrolidin-1-yl]-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-(dimethylamino)pyrrolidin-1-yl]-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(N5CCC(N(C)C)C5)ccc4n3)nn2n1.
What is the InChIKey of 7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WRJHCOBZNADABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-13-21-19-7-5-16(24-28(19)23-13)17-10-20(29)27-12-15(4-6-18(27)22-17)26-9-8-14(11-26)25(2)3/h4-7,10,12,14H,8-9,11H2,1-3H3.
What are the key properties of 7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one?
7-[3-(dimethylamino)pyrrolidin-1-yl]-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 390.45 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)pyrrolidin-1-yl]-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 137374531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).