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

C25H28FN5O3 — CID 139571031

IUPAC1-(7-fluoro-3-morpholin-4-ylisoquinolin-8-yl)-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2c(-c3c(F)ccc4cc(N5CCOCC5)ncc34)nc(C3CCOCC3)n2CC1=O
InChIInChI=1S/C25H28FN5O3/c1-29-14-20-24(28-25(31(20)15-22(29)32)16-4-8-33-9-5-16)23-18-13-27-21(30-6-10-34-11-7-30)12-17(18)2-3-19(23)26/h2-3,12-13,16H,4-11,14-15H2,1H3
InChIKeyVEYLNCUMVWIALX-UHFFFAOYSA-N
MW465.53 g/mol
LogP2.94
Rot. Bonds3

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

1-(7-fluoro-3-morpholin-4-ylisoquinolin-8-yl)-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139571031) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 1-(7-fluoro-3-morpholin-4-ylisoquinolin-8-yl)-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name1-(7-fluoro-3-morpholin-4-ylisoquinolin-8-yl)-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139571031
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name1-(7-fluoro-3-morpholin-4-ylisoquinolin-8-yl)-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2c(-c3c(F)ccc4cc(N5CCOCC5)ncc34)nc(C3CCOCC3)n2CC1=O
InChIInChI=1S/C25H28FN5O3/c1-29-14-20-24(28-25(31(20)15-22(29)32)16-4-8-33-9-5-16)23-18-13-27-21(30-6-10-34-11-7-30)12-17(18)2-3-19(23)26/h2-3,12-13,16H,4-11,14-15H2,1H3
InChIKeyVEYLNCUMVWIALX-UHFFFAOYSA-N
XLogP2.94
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-3-morpholin-4-ylisoquinolin-8-yl)-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 1-(7-fluoro-3-morpholin-4-ylisoquinolin-8-yl)-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139571031) is 1-(7-fluoro-3-morpholin-4-ylisoquinolin-8-yl)-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 1-(7-fluoro-3-morpholin-4-ylisoquinolin-8-yl)-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 1-(7-fluoro-3-morpholin-4-ylisoquinolin-8-yl)-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CN1Cc2c(-c3c(F)ccc4cc(N5CCOCC5)ncc34)nc(C3CCOCC3)n2CC1=O.
What is the InChIKey of 1-(7-fluoro-3-morpholin-4-ylisoquinolin-8-yl)-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is VEYLNCUMVWIALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-29-14-20-24(28-25(31(20)15-22(29)32)16-4-8-33-9-5-16)23-18-13-27-21(30-6-10-34-11-7-30)12-17(18)2-3-19(23)26/h2-3,12-13,16H,4-11,14-15H2,1H3.
What are the key properties of 1-(7-fluoro-3-morpholin-4-ylisoquinolin-8-yl)-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
1-(7-fluoro-3-morpholin-4-ylisoquinolin-8-yl)-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 465.53 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-3-morpholin-4-ylisoquinolin-8-yl)-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139571031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).