imidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone

C22H24N4O — CID 143724923

IUPACimidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ncc2ncccn12)N1CCC(c2ccccc2)C2CCCCC21
InChIInChI=1S/C22H24N4O/c27-22(21-24-15-20-23-12-6-13-26(20)21)25-14-11-17(16-7-2-1-3-8-16)18-9-4-5-10-19(18)25/h1-3,6-8,12-13,15,17-19H,4-5,9-11,14H2
InChIKeyOTXLXZPPSHPSLT-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.92
Rot. Bonds2

About imidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone

imidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone (PubChem CID 143724923) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is imidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
PubChem CID143724923
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Nameimidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ncc2ncccn12)N1CCC(c2ccccc2)C2CCCCC21
InChIInChI=1S/C22H24N4O/c27-22(21-24-15-20-23-12-6-13-26(20)21)25-14-11-17(16-7-2-1-3-8-16)18-9-4-5-10-19(18)25/h1-3,6-8,12-13,15,17-19H,4-5,9-11,14H2
InChIKeyOTXLXZPPSHPSLT-UHFFFAOYSA-N
XLogP3.92
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze imidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

(8-fluoroimidazo[1,5-a]pyridin-3-yl)-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 143724921
[(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-quinolin-8-ylmethanone
CID 71085948
[(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-isoquinolin-1-ylmethanone
CID 71085951
[(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
CID 71085864
[(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
CID 71085990
[(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone
CID 143724846
[(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanone
CID 71086118
(3-phenyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(thian-4-yl)methanone
CID 166224667
[(4R,4aR,9aR)-5-methyl-4-phenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 92608279
[(4S,4aR,8aR)-4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-phenylmethanone
CID 5338329
[2-(2-hydroxycyclopentyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 79545297
[(4R,4aR,9aR)-1-methyl-4-phenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]-pyridin-2-ylmethanone
CID 92608744

Frequently Asked Questions

What is the IUPAC name of imidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone?
The IUPAC name of imidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone (CID 143724923) is imidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for imidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for imidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone is O=C(c1ncc2ncccn12)N1CCC(c2ccccc2)C2CCCCC21.
What is the InChIKey of imidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone?
The InChIKey is OTXLXZPPSHPSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(21-24-15-20-23-12-6-13-26(20)21)25-14-11-17(16-7-2-1-3-8-16)18-9-4-5-10-19(18)25/h1-3,6-8,12-13,15,17-19H,4-5,9-11,14H2.
What are the key properties of imidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone?
imidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 143724923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).