7-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C25H29N5O3 — CID 139558336

IUPAC7-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2c(-c3cccc4cc(N5CCOCC5)ncc34)nc(C3CCOCC3)n2CC1=O
InChIInChI=1S/C25H29N5O3/c1-28-15-21-24(27-25(30(21)16-23(28)31)17-5-9-32-10-6-17)19-4-2-3-18-13-22(26-14-20(18)19)29-7-11-33-12-8-29/h2-4,13-14,17H,5-12,15-16H2,1H3
InChIKeyKYTMLJJXXOYRIG-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.80
Rot. Bonds3

About 7-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

7-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558336) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 7-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name7-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558336
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name7-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2c(-c3cccc4cc(N5CCOCC5)ncc34)nc(C3CCOCC3)n2CC1=O
InChIInChI=1S/C25H29N5O3/c1-28-15-21-24(27-25(30(21)16-23(28)31)17-5-9-32-10-6-17)19-4-2-3-18-13-22(26-14-20(18)19)29-7-11-33-12-8-29/h2-4,13-14,17H,5-12,15-16H2,1H3
InChIKeyKYTMLJJXXOYRIG-UHFFFAOYSA-N
XLogP2.80
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 7-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558336) is 7-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 7-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 7-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CN1Cc2c(-c3cccc4cc(N5CCOCC5)ncc34)nc(C3CCOCC3)n2CC1=O.
What is the InChIKey of 7-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is KYTMLJJXXOYRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-28-15-21-24(27-25(30(21)16-23(28)31)17-5-9-32-10-6-17)19-4-2-3-18-13-22(26-14-20(18)19)29-7-11-33-12-8-29/h2-4,13-14,17H,5-12,15-16H2,1H3.
What are the key properties of 7-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
7-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 447.54 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).