(5R)-5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-1-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C27H29N5O2S — CID 166596511

About (5R)-5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-1-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

(5R)-5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-1-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 166596511) has the molecular formula C27H29N5O2S and a molecular weight of 487.63 g/mol. Its IUPAC name is (5R)-5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-1-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

• Compound Name: (5R)-5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-1-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• PubChem CID: 166596511
• Molecular Formula: C27H29N5O2S
• Molecular Weight: 487.63 g/mol
• Exact Mass: 487.20
• IUPAC Name: (5R)-5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-1-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• SMILES: Cc1ccc2cc(-c3cnc(C)s3)nc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@H]4C)c2c1
• InChI: InChI=1S/C27H29N5O2S/c1-15-5-6-19-12-21(23-13-28-17(3)35-23)29-24(20(19)11-15)25-22-14-31(4)27(33)16(2)32(22)26(30-25)18-7-9-34-10-8-18/h5-6,11-13,16,18H,7-10,14H2,1-4H3/t16-/m1/s1
• InChIKey: WVTUORYLIPBXSF-MRXNPFEDSA-N
• XLogP: 5.27
• TPSA: 73.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.63
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R)-5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-1-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The IUPAC name of (5R)-5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-1-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 166596511) is (5R)-5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-1-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

What is the SMILES notation for (5R)-5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-1-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The canonical SMILES for (5R)-5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-1-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cc1ccc2cc(-c3cnc(C)s3)nc(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@H]4C)c2c1.

What is the InChIKey of (5R)-5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-1-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The InChIKey is WVTUORYLIPBXSF-MRXNPFEDSA-N. The full InChI is InChI=1S/C27H29N5O2S/c1-15-5-6-19-12-21(23-13-28-17(3)35-23)29-24(20(19)11-15)25-22-14-31(4)27(33)16(2)32(22)26(30-25)18-7-9-34-10-8-18/h5-6,11-13,16,18H,7-10,14H2,1-4H3/t16-/m1/s1.

What are the key properties of (5R)-5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-1-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

(5R)-5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-1-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 487.63 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-1-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 166596511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).