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

C₄₈H₄₈N₁₂O₂ — CID 158719416

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

(5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 158719416) has the molecular formula C₄₈H₄₈N₁₂O₂ and a molecular weight of 824.99 g/mol. Its IUPAC name is (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

• Compound Name: (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• PubChem CID: 158719416
• Molecular Formula: C₄₈H₄₈N₁₂O₂
• Molecular Weight: 824.99 g/mol
• Exact Mass: 824.40
• IUPAC Name: (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• SMILES: C[C@@H]1C(=O)N(C)Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n21.C[C@H]1C(=O)N(C)Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n21
• InChI: InChI=1S/2C24H24N6O/c2*1-14-24(31)28(2)13-21-22(27-23(30(14)21)15-7-8-15)18-6-4-5-16-9-20(25-11-19(16)18)17-10-26-29(3)12-17/h2*4-6,9-12,14-15H,7-8,13H2,1-3H3/t2*14-/m10/s1
• InChIKey: IJSKNEPGHZOEJK-IKFJUQJOSA-N
• XLogP: 7.82
• TPSA: 137.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	824.99
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The IUPAC name of (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 158719416) is (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

What is the SMILES notation for (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The canonical SMILES for (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is C[C@@H]1C(=O)N(C)Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n21.C[C@H]1C(=O)N(C)Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n21.

What is the InChIKey of (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The InChIKey is IJSKNEPGHZOEJK-IKFJUQJOSA-N. The full InChI is InChI=1S/2C24H24N6O/c2*1-14-24(31)28(2)13-21-22(27-23(30(14)21)15-7-8-15)18-6-4-5-16-9-20(25-11-19(16)18)17-10-26-29(3)12-17/h2*4-6,9-12,14-15H,7-8,13H2,1-3H3/t2*14-/m10/s1.

What are the key properties of (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

(5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 824.99 g/mol, XLogP of 7.82, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-3-cyclopropyl-5,7-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 158719416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158719416 — identifiers, structure, computed properties (public domain)

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