bis(3-cyclopropyl-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C101H105F5N24O5S2 — CID 158980677

About bis(3-cyclopropyl-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

bis(3-cyclopropyl-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 158980677) has the molecular formula C101H105F5N24O5S2 and a molecular weight of 1894.24 g/mol. Its IUPAC name is bis(3-cyclopropyl-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: bis(3-cyclopropyl-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
• PubChem CID: 158980677
• Molecular Formula: C101H105F5N24O5S2
• Molecular Weight: 1894.24 g/mol
• Exact Mass: 1892.81
• IUPAC Name: bis(3-cyclopropyl-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
• SMILES: CNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)(F)F)cc34)c2C1.CNC(=O)N1CCn2c(C3CC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1
• InChI: InChI=1S/C26H24F5N7O.2C25H26N6OS.C25H29N5O2/c1-32-24(39)37-6-7-38-20(13-37)22(35-23(38)14-9-25(27,28)10-14)16-4-3-5-19-17(16)8-18(26(29,30)31)21(34-19)15-11-33-36(2)12-15;2*1-14-4-5-17-10-19(21-12-27-15(2)33-21)28-11-18(17)22(14)23-20-13-30(25(32)26-3)8-9-31(20)24(29-23)16-6-7-16;1-26-25(31)29-9-10-30-22(15-29)23(28-24(30)17-5-6-17)19-4-2-3-18-13-21(27-14-20(18)19)16-7-11-32-12-8-16/h3-5,8,11-12,14H,6-7,9-10,13H2,1-2H3,(H,32,39);2*4-5,10-12,16H,6-9,13H2,1-3H3,(H,26,32);2-4,13-14,16-17H,5-12,15H2,1H3,(H,26,31)
• InChIKey: JOYPIAWYNRPMFF-UHFFFAOYSA-N
• XLogP: 18.95
• TPSA: 305.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.24
LogP ≤ 5	18.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of bis(3-cyclopropyl-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The IUPAC name of bis(3-cyclopropyl-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 158980677) is bis(3-cyclopropyl-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

What is the SMILES notation for bis(3-cyclopropyl-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The canonical SMILES for bis(3-cyclopropyl-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)(F)F)cc34)c2C1.CNC(=O)N1CCn2c(C3CC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.

What is the InChIKey of bis(3-cyclopropyl-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The InChIKey is JOYPIAWYNRPMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F5N7O.2C25H26N6OS.C25H29N5O2/c1-32-24(39)37-6-7-38-20(13-37)22(35-23(38)14-9-25(27,28)10-14)16-4-3-5-19-17(16)8-18(26(29,30)31)21(34-19)15-11-33-36(2)12-15;2*1-14-4-5-17-10-19(21-12-27-15(2)33-21)28-11-18(17)22(14)23-20-13-30(25(32)26-3)8-9-31(20)24(29-23)16-6-7-16;1-26-25(31)29-9-10-30-22(15-29)23(28-24(30)17-5-6-17)19-4-2-3-18-13-21(27-14-20(18)19)16-7-11-32-12-8-16/h3-5,8,11-12,14H,6-7,9-10,13H2,1-2H3,(H,32,39);2*4-5,10-12,16H,6-9,13H2,1-3H3,(H,26,32);2-4,13-14,16-17H,5-12,15H2,1H3,(H,26,31).

What are the key properties of bis(3-cyclopropyl-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

bis(3-cyclopropyl-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 1894.24 g/mol, XLogP of 18.95, 12 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-cyclopropyl-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 158980677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).