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

C112H121F4N21O6S3 — CID 159870702

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-(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-[1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-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-(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-[1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (PubChem CID 159870702) has the molecular formula C112H121F4N21O6S3 and a molecular weight of 2029.53 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-(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-[1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-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-(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-[1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
• PubChem CID: 159870702
• Molecular Formula: C112H121F4N21O6S3
• Molecular Weight: 2029.53 g/mol
• Exact Mass: 2027.89
• 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-(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-[1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-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(C3CCC(F)(F)CC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(C)ccc4cc(-c5ccn(C)n5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1
• InChI: InChI=1S/C29H31F2N5OS.C28H32N6O2.C28H31N5O2S.C27H27F2N5OS/c1-4-25(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;1-4-25(35)33-11-12-34-24(17-33)27(30-28(34)19-8-13-36-14-9-19)26-18(2)5-6-20-15-23(29-16-21(20)26)22-7-10-32(3)31-22;1-4-25(34)32-9-10-33-23(16-32)27(31-28(33)19-7-11-35-12-8-19)26-17(2)5-6-20-13-22(30-14-21(20)26)24-15-29-18(3)36-24;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/h5-6,13-15,19H,4,7-12,16H2,1-3H3;5-7,10,15-16,19H,4,8-9,11-14,17H2,1-3H3;5-6,13-15,19H,4,7-12,16H2,1-3H3;5-6,9,12-13,18H,4,7-8,10-11,14H2,1-3H3
• InChIKey: NSHNMBWOSUFCQJ-UHFFFAOYSA-N
• XLogP: 22.93
• TPSA: 279.03 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2029.53
LogP ≤ 5	22.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

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-(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-[1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-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-(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-[1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (CID 159870702) 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-(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-[1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-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-(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-[1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-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-(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-[1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-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(C3CCC(F)(F)CC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(C)ccc4cc(-c5ccn(C)n5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)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-(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-[1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?

The InChIKey is NSHNMBWOSUFCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2N5OS.C28H32N6O2.C28H31N5O2S.C27H27F2N5OS/c1-4-25(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;1-4-25(35)33-11-12-34-24(17-33)27(30-28(34)19-8-13-36-14-9-19)26-18(2)5-6-20-15-23(29-16-21(20)26)22-7-10-32(3)31-22;1-4-25(34)32-9-10-33-23(16-32)27(31-28(33)19-7-11-35-12-8-19)26-17(2)5-6-20-13-22(30-14-21(20)26)24-15-29-18(3)36-24;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/h5-6,13-15,19H,4,7-12,16H2,1-3H3;5-7,10,15-16,19H,4,8-9,11-14,17H2,1-3H3;5-6,13-15,19H,4,7-12,16H2,1-3H3;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-(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-[1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-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-(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-[1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one has a molecular weight of 2029.53 g/mol, XLogP of 22.93, 16 rotatable bonds, 0 hydrogen bond donors, and 26 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-(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-[1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 159870702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).