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

C₁₀₈H₁₂₀F₄N₂₀O₁₀ — CID 158605323

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

(5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 158605323) has the molecular formula C₁₀₈H₁₂₀F₄N₂₀O₁₀ and a molecular weight of 1934.27 g/mol. Its IUPAC name is (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-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: (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• PubChem CID: 158605323
• Molecular Formula: C₁₀₈H₁₂₀F₄N₂₀O₁₀
• Molecular Weight: 1934.27 g/mol
• Exact Mass: 1932.94
• IUPAC Name: (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• SMILES: C[C@@H]1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n21.C[C@H]1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n21.Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@@H]4C)c(F)ccc2nc1-c1cnn(C)c1.Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@H]4C)c(F)ccc2nc1-c1cnn(C)c1
• InChI: InChI=1S/2C27H29FN6O2.2C27H31FN4O3/c2*1-15-11-19-21(30-24(15)18-12-29-33(4)13-18)6-5-20(28)23(19)25-22-14-32(3)27(35)16(2)34(22)26(31-25)17-7-9-36-10-8-17;2*1-16-27(33)31(2)15-23-25(30-26(32(16)23)18-7-11-35-12-8-18)24-20-14-29-22(17-5-9-34-10-6-17)13-19(20)3-4-21(24)28/h2*5-6,11-13,16-17H,7-10,14H2,1-4H3;2*3-4,13-14,16-18H,5-12,15H2,1-2H3/t4*16-/m1010/s1
• InChIKey: HWDNEPGCEZQZAL-CUJIRLJHSA-N
• XLogP: 17.86
• TPSA: 295.10 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1934.27
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-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 (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 158605323) is (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-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 (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-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 (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-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(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n21.C[C@H]1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n21.Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@@H]4C)c(F)ccc2nc1-c1cnn(C)c1.Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@H]4C)c(F)ccc2nc1-c1cnn(C)c1.

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

The InChIKey is HWDNEPGCEZQZAL-CUJIRLJHSA-N. The full InChI is InChI=1S/2C27H29FN6O2.2C27H31FN4O3/c2*1-15-11-19-21(30-24(15)18-12-29-33(4)13-18)6-5-20(28)23(19)25-22-14-32(3)27(35)16(2)34(22)26(31-25)17-7-9-36-10-8-17;2*1-16-27(33)31(2)15-23-25(30-26(32(16)23)18-7-11-35-12-8-18)24-20-14-29-22(17-5-9-34-10-6-17)13-19(20)3-4-21(24)28/h2*5-6,11-13,16-17H,7-10,14H2,1-4H3;2*3-4,13-14,16-18H,5-12,15H2,1-2H3/t4*16-/m1010/s1.

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

(5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-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 1934.27 g/mol, XLogP of 17.86, 12 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-1-[7-fluoro-3-(oxan-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 158605323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158605323 — identifiers, structure, computed properties (public domain)

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