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

C105H110F2N22O5S — CID 159782323

About 1-[3-cyclopropyl-1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-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-cyclopropyl-1-[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-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one

1-[3-cyclopropyl-1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-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-cyclopropyl-1-[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-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (PubChem CID 159782323) has the molecular formula C105H110F2N22O5S and a molecular weight of 1830.25 g/mol. Its IUPAC name is 1-[3-cyclopropyl-1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-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-cyclopropyl-1-[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-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[3-cyclopropyl-1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-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-cyclopropyl-1-[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-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
• PubChem CID: 159782323
• Molecular Formula: C105H110F2N22O5S
• Molecular Weight: 1830.25 g/mol
• Exact Mass: 1828.87
• IUPAC Name: 1-[3-cyclopropyl-1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-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-cyclopropyl-1-[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-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
• SMILES: CCC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C)cc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.[C-]#[N+]c1cc2c(-c3nc(C4CC4)n4c3CN(C(=O)CC)CC4)cccc2nc1-c1cnn(C)c1
• InChI: InChI=1S/C27H28F2N6O.C26H25N7O.C26H27N5OS.C26H30N4O2/c1-4-23(36)34-8-9-35-22(15-34)25(32-26(35)17-11-27(28,29)12-17)19-6-5-7-21-20(19)10-16(2)24(31-21)18-13-30-33(3)14-18;1-4-23(34)32-10-11-33-22(15-32)25(30-26(33)16-8-9-16)18-6-5-7-20-19(18)12-21(27-2)24(29-20)17-13-28-31(3)14-17;1-4-23(32)30-9-10-31-21(14-30)25(29-26(31)17-7-8-17)24-15(2)5-6-18-11-20(28-12-19(18)24)22-13-27-16(3)33-22;1-2-24(31)29-10-11-30-23(16-29)25(28-26(30)18-6-7-18)20-5-3-4-19-14-22(27-15-21(19)20)17-8-12-32-13-9-17/h5-7,10,13-14,17H,4,8-9,11-12,15H2,1-3H3;5-7,12-14,16H,4,8-11,15H2,1,3H3;5-6,11-13,17H,4,7-10,14H2,1-3H3;3-5,14-15,17-18H,2,6-13,16H2,1H3
• InChIKey: NHMXQTXGXLVFSL-UHFFFAOYSA-N
• XLogP: 19.84
• TPSA: 266.20 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1830.25
LogP ≤ 5	19.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-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-cyclopropyl-1-[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-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?

The IUPAC name of 1-[3-cyclopropyl-1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-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-cyclopropyl-1-[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-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (CID 159782323) is 1-[3-cyclopropyl-1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-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-cyclopropyl-1-[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-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one.

What is the SMILES notation for 1-[3-cyclopropyl-1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-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-cyclopropyl-1-[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-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?

The canonical SMILES for 1-[3-cyclopropyl-1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-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-cyclopropyl-1-[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-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is CCC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C)cc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.[C-]#[N+]c1cc2c(-c3nc(C4CC4)n4c3CN(C(=O)CC)CC4)cccc2nc1-c1cnn(C)c1.

What is the InChIKey of 1-[3-cyclopropyl-1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-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-cyclopropyl-1-[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-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?

The InChIKey is NHMXQTXGXLVFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6O.C26H25N7O.C26H27N5OS.C26H30N4O2/c1-4-23(36)34-8-9-35-22(15-34)25(32-26(35)17-11-27(28,29)12-17)19-6-5-7-21-20(19)10-16(2)24(31-21)18-13-30-33(3)14-18;1-4-23(34)32-10-11-33-22(15-32)25(30-26(33)16-8-9-16)18-6-5-7-20-19(18)12-21(27-2)24(29-20)17-13-28-31(3)14-17;1-4-23(32)30-9-10-31-21(14-30)25(29-26(31)17-7-8-17)24-15(2)5-6-18-11-20(28-12-19(18)24)22-13-27-16(3)33-22;1-2-24(31)29-10-11-30-23(16-29)25(28-26(30)18-6-7-18)20-5-3-4-19-14-22(27-15-21(19)20)17-8-12-32-13-9-17/h5-7,10,13-14,17H,4,8-9,11-12,15H2,1-3H3;5-7,12-14,16H,4,8-11,15H2,1,3H3;5-6,11-13,17H,4,7-10,14H2,1-3H3;3-5,14-15,17-18H,2,6-13,16H2,1H3.

What are the key properties of 1-[3-cyclopropyl-1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-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-cyclopropyl-1-[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-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?

1-[3-cyclopropyl-1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-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-cyclopropyl-1-[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-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one has a molecular weight of 1830.25 g/mol, XLogP of 19.84, 16 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-cyclopropyl-1-[3-isocyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-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-cyclopropyl-1-[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-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 159782323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).