7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one

C22H22FN7O — CID 168888316

IUPAC7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCc1cn2cc(-c3nc(=O)n4cc(N5CCNC6(CC6)C5)cc(C)c4n3)cc(F)c2n1
InChIInChI=1S/C22H22FN7O/c1-13-7-16(28-6-5-24-22(12-28)3-4-22)11-30-19(13)26-18(27-21(30)31)15-8-17(23)20-25-14(2)9-29(20)10-15/h7-11,24H,3-6,12H2,1-2H3
InChIKeyJKSPIKHXNPCZHS-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.10
Rot. Bonds2

About 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one

7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 168888316) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID168888316
Molecular FormulaC22H22FN7O
Molecular Weight419.46 g/mol
Exact Mass419.19
IUPAC Name7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCc1cn2cc(-c3nc(=O)n4cc(N5CCNC6(CC6)C5)cc(C)c4n3)cc(F)c2n1
InChIInChI=1S/C22H22FN7O/c1-13-7-16(28-6-5-24-22(12-28)3-4-22)11-30-19(13)26-18(27-21(30)31)15-8-17(23)20-25-14(2)9-29(20)10-15/h7-11,24H,3-6,12H2,1-2H3
InChIKeyJKSPIKHXNPCZHS-UHFFFAOYSA-N
XLogP2.10
TPSA79.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one (CID 168888316) is 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one is Cc1cn2cc(-c3nc(=O)n4cc(N5CCNC6(CC6)C5)cc(C)c4n3)cc(F)c2n1.
What is the InChIKey of 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is JKSPIKHXNPCZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O/c1-13-7-16(28-6-5-24-22(12-28)3-4-22)11-30-19(13)26-18(27-21(30)31)15-8-17(23)20-25-14(2)9-29(20)10-15/h7-11,24H,3-6,12H2,1-2H3.
What are the key properties of 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one?
7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 419.46 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 168888316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).