7-(2,7-diazaspiro[3.5]nonan-2-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one

C21H22N8O — CID 122703251

IUPAC7-(2,7-diazaspiro[3.5]nonan-2-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(N5CC6(CCNCC6)C5)ccc4n3)nn2n1
InChIInChI=1S/C21H22N8O/c1-14-23-19-5-3-16(26-29(19)25-14)17-10-20(30)28-11-15(2-4-18(28)24-17)27-12-21(13-27)6-8-22-9-7-21/h2-5,10-11,22H,6-9,12-13H2,1H3
InChIKeyHYMCWZYPBSXUER-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.30
Rot. Bonds2

About 7-(2,7-diazaspiro[3.5]nonan-2-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one

7-(2,7-diazaspiro[3.5]nonan-2-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 122703251) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is 7-(2,7-diazaspiro[3.5]nonan-2-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-(2,7-diazaspiro[3.5]nonan-2-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID122703251
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name7-(2,7-diazaspiro[3.5]nonan-2-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(N5CC6(CCNCC6)C5)ccc4n3)nn2n1
InChIInChI=1S/C21H22N8O/c1-14-23-19-5-3-16(26-29(19)25-14)17-10-20(30)28-11-15(2-4-18(28)24-17)27-12-21(13-27)6-8-22-9-7-21/h2-5,10-11,22H,6-9,12-13H2,1H3
InChIKeyHYMCWZYPBSXUER-UHFFFAOYSA-N
XLogP1.30
TPSA92.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(2,7-diazaspiro[3.5]nonan-2-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-(2,7-diazaspiro[3.5]nonan-2-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-(2,7-diazaspiro[3.5]nonan-2-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one (CID 122703251) is 7-(2,7-diazaspiro[3.5]nonan-2-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-(2,7-diazaspiro[3.5]nonan-2-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-(2,7-diazaspiro[3.5]nonan-2-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(N5CC6(CCNCC6)C5)ccc4n3)nn2n1.
What is the InChIKey of 7-(2,7-diazaspiro[3.5]nonan-2-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HYMCWZYPBSXUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O/c1-14-23-19-5-3-16(26-29(19)25-14)17-10-20(30)28-11-15(2-4-18(28)24-17)27-12-21(13-27)6-8-22-9-7-21/h2-5,10-11,22H,6-9,12-13H2,1H3.
What are the key properties of 7-(2,7-diazaspiro[3.5]nonan-2-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one?
7-(2,7-diazaspiro[3.5]nonan-2-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 402.46 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,7-diazaspiro[3.5]nonan-2-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 122703251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).