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

C26H31N5O3 — CID 139570844

IUPAC(5S)-5,7-dimethyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESC[C@H]1C(=O)N(C)Cc2c(-c3cccc4cc(N5CCOCC5)ncc34)nc(C3CCOCC3)n21
InChIInChI=1S/C26H31N5O3/c1-17-26(32)29(2)16-22-24(28-25(31(17)22)18-6-10-33-11-7-18)20-5-3-4-19-14-23(27-15-21(19)20)30-8-12-34-13-9-30/h3-5,14-15,17-18H,6-13,16H2,1-2H3/t17-/m0/s1
InChIKeyICGXDGBYQZIXIF-KRWDZBQOSA-N
MW461.57 g/mol
LogP3.36
Rot. Bonds3

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

(5S)-5,7-dimethyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139570844) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is (5S)-5,7-dimethyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name(5S)-5,7-dimethyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139570844
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name(5S)-5,7-dimethyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESC[C@H]1C(=O)N(C)Cc2c(-c3cccc4cc(N5CCOCC5)ncc34)nc(C3CCOCC3)n21
InChIInChI=1S/C26H31N5O3/c1-17-26(32)29(2)16-22-24(28-25(31(17)22)18-6-10-33-11-7-18)20-5-3-4-19-14-23(27-15-21(19)20)30-8-12-34-13-9-30/h3-5,14-15,17-18H,6-13,16H2,1-2H3/t17-/m0/s1
InChIKeyICGXDGBYQZIXIF-KRWDZBQOSA-N
XLogP3.36
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5S)-5,7-dimethyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of (5S)-5,7-dimethyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139570844) is (5S)-5,7-dimethyl-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 (5S)-5,7-dimethyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for (5S)-5,7-dimethyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is C[C@H]1C(=O)N(C)Cc2c(-c3cccc4cc(N5CCOCC5)ncc34)nc(C3CCOCC3)n21.
What is the InChIKey of (5S)-5,7-dimethyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is ICGXDGBYQZIXIF-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-17-26(32)29(2)16-22-24(28-25(31(17)22)18-6-10-33-11-7-18)20-5-3-4-19-14-23(27-15-21(19)20)30-8-12-34-13-9-30/h3-5,14-15,17-18H,6-13,16H2,1-2H3/t17-/m0/s1.
What are the key properties of (5S)-5,7-dimethyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
(5S)-5,7-dimethyl-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 461.57 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5,7-dimethyl-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 139570844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).