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;2,2,2-trifluoroacetic acid

C23H23F3N8O3 — CID 122703262

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;2,2,2-trifluoroacetic acid
SMILESCc1nc2ccc(-c3cc(=O)n4cc(N5CC6(CCNCC6)C5)ccc4n3)nn2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22N8O.C2HF3O2/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;3-2(4,5)1(6)7/h2-5,10-11,22H,6-9,12-13H2,1H3;(H,6,7)
InChIKeyQMEQYJLQZFWKEH-UHFFFAOYSA-N
MW516.48 g/mol
LogP1.93
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;2,2,2-trifluoroacetic acid

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;2,2,2-trifluoroacetic acid (PubChem CID 122703262) has the molecular formula C23H23F3N8O3 and a molecular weight of 516.48 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;2,2,2-trifluoroacetic acid.

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;2,2,2-trifluoroacetic acid
PubChem CID122703262
Molecular FormulaC23H23F3N8O3
Molecular Weight516.48 g/mol
Exact Mass516.18
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;2,2,2-trifluoroacetic acid
SMILESCc1nc2ccc(-c3cc(=O)n4cc(N5CC6(CCNCC6)C5)ccc4n3)nn2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22N8O.C2HF3O2/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;3-2(4,5)1(6)7/h2-5,10-11,22H,6-9,12-13H2,1H3;(H,6,7)
InChIKeyQMEQYJLQZFWKEH-UHFFFAOYSA-N
XLogP1.93
TPSA130.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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;2,2,2-trifluoroacetic acid 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;2,2,2-trifluoroacetic acid?
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;2,2,2-trifluoroacetic acid (CID 122703262) 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;2,2,2-trifluoroacetic acid.
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;2,2,2-trifluoroacetic acid?
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;2,2,2-trifluoroacetic acid is Cc1nc2ccc(-c3cc(=O)n4cc(N5CC6(CCNCC6)C5)ccc4n3)nn2n1.O=C(O)C(F)(F)F.
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;2,2,2-trifluoroacetic acid?
The InChIKey is QMEQYJLQZFWKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O.C2HF3O2/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;3-2(4,5)1(6)7/h2-5,10-11,22H,6-9,12-13H2,1H3;(H,6,7).
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;2,2,2-trifluoroacetic acid?
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;2,2,2-trifluoroacetic acid has a molecular weight of 516.48 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 10 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;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122703262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).