(5S)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C106H116N24O8 — CID 159481141

IUPAC(5S)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESC[C@@H]1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21.C[C@H]1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21.Cc1nn(C)cc1-c1cc2cccc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@@H]4C)c2cn1.Cc1nn(C)cc1-c1cc2cccc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@H]4C)c2cn1
InChIInChI=1S/2C27H30N6O2.2C26H28N6O2/c2*1-16-22(14-32(4)30-16)23-12-19-6-5-7-20(21(19)13-28-23)25-24-15-31(3)27(34)17(2)33(24)26(29-25)18-8-10-35-11-9-18;2*1-16-26(33)30(2)15-23-24(28-25(32(16)23)17-8-11-34-12-9-17)19-6-4-5-18-13-22(27-14-20(18)19)21-7-10-31(3)29-21/h2*5-7,12-14,17-18H,8-11,15H2,1-4H3;2*4-7,10,13-14,16-17H,8-9,11-12,15H2,1-3H3/t2*17-;2*16-/m1010/s1
InChIKeyLXACCIOWUKMEHN-LUQIYNNYSA-N
MW1854.25 g/mol
LogP16.32
Rot. Bonds12

About (5S)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

(5S)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 159481141) has the molecular formula C106H116N24O8 and a molecular weight of 1854.25 g/mol. Its IUPAC name is (5S)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name(5S)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID159481141
Molecular FormulaC106H116N24O8
Molecular Weight1854.25 g/mol
Exact Mass1852.94
IUPAC Name(5S)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESC[C@@H]1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21.C[C@H]1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21.Cc1nn(C)cc1-c1cc2cccc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@@H]4C)c2cn1.Cc1nn(C)cc1-c1cc2cccc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@H]4C)c2cn1
InChIInChI=1S/2C27H30N6O2.2C26H28N6O2/c2*1-16-22(14-32(4)30-16)23-12-19-6-5-7-20(21(19)13-28-23)25-24-15-31(3)27(34)17(2)33(24)26(29-25)18-8-10-35-11-9-18;2*1-16-26(33)30(2)15-23-24(28-25(32(16)23)17-8-11-34-12-9-17)19-6-4-5-18-13-22(27-14-20(18)19)21-7-10-31(3)29-21/h2*5-7,12-14,17-18H,8-11,15H2,1-4H3;2*4-7,10,13-14,16-17H,8-9,11-12,15H2,1-3H3/t2*17-;2*16-/m1010/s1
InChIKeyLXACCIOWUKMEHN-LUQIYNNYSA-N
XLogP16.32
TPSA312.28 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds12
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.25
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze (5S)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of (5S)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 159481141) is (5S)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-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-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for (5S)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is C[C@@H]1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21.C[C@H]1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ccn(C)n5)ncc34)nc(C3CCOCC3)n21.Cc1nn(C)cc1-c1cc2cccc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@@H]4C)c2cn1.Cc1nn(C)cc1-c1cc2cccc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@H]4C)c2cn1.
What is the InChIKey of (5S)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is LXACCIOWUKMEHN-LUQIYNNYSA-N. The full InChI is InChI=1S/2C27H30N6O2.2C26H28N6O2/c2*1-16-22(14-32(4)30-16)23-12-19-6-5-7-20(21(19)13-28-23)25-24-15-31(3)27(34)17(2)33(24)26(29-25)18-8-10-35-11-9-18;2*1-16-26(33)30(2)15-23-24(28-25(32(16)23)17-8-11-34-12-9-17)19-6-4-5-18-13-22(27-14-20(18)19)21-7-10-31(3)29-21/h2*5-7,12-14,17-18H,8-11,15H2,1-4H3;2*4-7,10,13-14,16-17H,8-9,11-12,15H2,1-3H3/t2*17-;2*16-/m1010/s1.
What are the key properties of (5S)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
(5S)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 1854.25 g/mol, XLogP of 16.32, 12 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 159481141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).