1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one

C114H126F8N18O6S2 — CID 157121723

About 1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one

1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (PubChem CID 157121723) has the molecular formula C114H126F8N18O6S2 and a molecular weight of 2060.50 g/mol. Its IUPAC name is 1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
• PubChem CID: 157121723
• Molecular Formula: C114H126F8N18O6S2
• Molecular Weight: 2060.50 g/mol
• Exact Mass: 2058.94
• IUPAC Name: 1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
• SMILES: CCC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3c(C)ccc4cc(C5CCOCC5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3c(C)ccc4cc(C5CCOCC5)ncc34)c2C1
• InChI: InChI=1S/C30H36F2N4O2.C29H31F2N5OS.C28H32F2N4O2.C27H27F2N5OS/c1-3-26(37)35-12-13-36-25(18-35)28(34-29(36)21-6-10-30(31,32)11-7-21)27-19(2)4-5-22-16-24(33-17-23(22)27)20-8-14-38-15-9-20;1-4-25(37)35-11-12-36-23(16-35)27(34-28(36)19-7-9-29(30,31)10-8-19)26-17(2)5-6-20-13-22(33-14-21(20)26)24-15-32-18(3)38-24;1-3-24(35)33-8-9-34-23(16-33)26(32-27(34)20-13-28(29,30)14-20)25-17(2)4-5-19-12-22(31-15-21(19)25)18-6-10-36-11-7-18;1-4-23(35)33-7-8-34-21(14-33)25(32-26(34)18-10-27(28,29)11-18)24-15(2)5-6-17-9-20(31-12-19(17)24)22-13-30-16(3)36-22/h4-5,16-17,20-21H,3,6-15,18H2,1-2H3;5-6,13-15,19H,4,7-12,16H2,1-3H3;4-5,12,15,18,20H,3,6-11,13-14,16H2,1-2H3;5-6,9,12-13,18H,4,7-8,10-11,14H2,1-3H3
• InChIKey: AIAYCPHSJWULDL-UHFFFAOYSA-N
• XLogP: 24.90
• TPSA: 248.32 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2060.50
LogP ≤ 5	24.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?

The IUPAC name of 1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (CID 157121723) is 1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one.

What is the SMILES notation for 1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?

The canonical SMILES for 1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is CCC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3c(C)ccc4cc(C5CCOCC5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3c(C)ccc4cc(C5CCOCC5)ncc34)c2C1.

What is the InChIKey of 1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?

The InChIKey is AIAYCPHSJWULDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F2N4O2.C29H31F2N5OS.C28H32F2N4O2.C27H27F2N5OS/c1-3-26(37)35-12-13-36-25(18-35)28(34-29(36)21-6-10-30(31,32)11-7-21)27-19(2)4-5-22-16-24(33-17-23(22)27)20-8-14-38-15-9-20;1-4-25(37)35-11-12-36-23(16-35)27(34-28(36)19-7-9-29(30,31)10-8-19)26-17(2)5-6-20-13-22(33-14-21(20)26)24-15-32-18(3)38-24;1-3-24(35)33-8-9-34-23(16-33)26(32-27(34)20-13-28(29,30)14-20)25-17(2)4-5-19-12-22(31-15-21(19)25)18-6-10-36-11-7-18;1-4-23(35)33-7-8-34-21(14-33)25(32-26(34)18-10-27(28,29)11-18)24-15(2)5-6-17-9-20(31-12-19(17)24)22-13-30-16(3)36-22/h4-5,16-17,20-21H,3,6-15,18H2,1-2H3;5-6,13-15,19H,4,7-12,16H2,1-3H3;4-5,12,15,18,20H,3,6-11,13-14,16H2,1-2H3;5-6,9,12-13,18H,4,7-8,10-11,14H2,1-3H3.

What are the key properties of 1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?

1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one has a molecular weight of 2060.50 g/mol, XLogP of 24.90, 16 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 157121723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).