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-(4-fluoro-4-methylcyclohexyl)-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-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[5-[8-[3-(oxan-4-yl)-7-propanoyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]-2-pyridinyl]propan-1-one

C115H130F3N25O6 — CID 161245217

About 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-(4-fluoro-4-methylcyclohexyl)-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-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[5-[8-[3-(oxan-4-yl)-7-propanoyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]-2-pyridinyl]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-(4-fluoro-4-methylcyclohexyl)-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-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[5-[8-[3-(oxan-4-yl)-7-propanoyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]-2-pyridinyl]propan-1-one (PubChem CID 161245217) has the molecular formula C115H130F3N25O6 and a molecular weight of 2015.47 g/mol. Its IUPAC name is 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-(4-fluoro-4-methylcyclohexyl)-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-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[5-[8-[3-(oxan-4-yl)-7-propanoyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]-2-pyridinyl]propan-1-one.

Molecular Properties

• Compound Name: 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-(4-fluoro-4-methylcyclohexyl)-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-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[5-[8-[3-(oxan-4-yl)-7-propanoyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]-2-pyridinyl]propan-1-one
• PubChem CID: 161245217
• Molecular Formula: C115H130F3N25O6
• Molecular Weight: 2015.47 g/mol
• Exact Mass: 2014.06
• IUPAC Name: 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-(4-fluoro-4-methylcyclohexyl)-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-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[5-[8-[3-(oxan-4-yl)-7-propanoyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]-2-pyridinyl]propan-1-one
• SMILES: CCC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C)cc34)c2C1.CCC(=O)N1CCn2c(C3CCC(C)(F)CC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C)cc34)c2C1.CCC(=O)N1CCn2c(C3CCN(C)CC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.CCC(=O)c1ccc(-c2cc3cccc(-c4nc(C5CCOCC5)n5c4CN(C(=O)CC)CC5)c3cn2)cn1
• InChI: InChI=1S/C31H33N5O3.C30H35FN6O.C27H28F2N6O.C27H34N8O/c1-3-28(37)25-9-8-22(17-32-25)26-16-21-6-5-7-23(24(21)18-33-26)30-27-19-35(29(38)4-2)12-13-36(27)31(34-30)20-10-14-39-15-11-20;1-5-26(38)36-13-14-37-25(18-36)28(34-29(37)20-9-11-30(3,31)12-10-20)22-7-6-8-24-23(22)15-19(2)27(33-24)21-16-32-35(4)17-21;1-4-23(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;1-5-24(36)34-12-13-35-23(17-34)26(29-27(35)18-8-10-31(2)11-9-18)19-6-7-22-21(14-19)25(30-33(22)4)20-15-28-32(3)16-20/h5-9,16-18,20H,3-4,10-15,19H2,1-2H3;6-8,15-17,20H,5,9-14,18H2,1-4H3;5-7,10,13-14,17H,4,8-9,11-12,15H2,1-3H3;6-7,14-16,18H,5,8-13,17H2,1-4H3
• InChIKey: VANUHFHJURSAFJ-UHFFFAOYSA-N
• XLogP: 19.82
• TPSA: 304.90 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2015.47
LogP ≤ 5	19.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 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-(4-fluoro-4-methylcyclohexyl)-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-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[5-[8-[3-(oxan-4-yl)-7-propanoyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]-2-pyridinyl]propan-1-one?

The IUPAC name of 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-(4-fluoro-4-methylcyclohexyl)-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-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[5-[8-[3-(oxan-4-yl)-7-propanoyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]-2-pyridinyl]propan-1-one (CID 161245217) is 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-(4-fluoro-4-methylcyclohexyl)-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-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[5-[8-[3-(oxan-4-yl)-7-propanoyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]-2-pyridinyl]propan-1-one.

What is the SMILES notation for 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-(4-fluoro-4-methylcyclohexyl)-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-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[5-[8-[3-(oxan-4-yl)-7-propanoyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]-2-pyridinyl]propan-1-one?

The canonical SMILES for 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-(4-fluoro-4-methylcyclohexyl)-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-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[5-[8-[3-(oxan-4-yl)-7-propanoyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]-2-pyridinyl]propan-1-one is CCC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C)cc34)c2C1.CCC(=O)N1CCn2c(C3CCC(C)(F)CC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C)cc34)c2C1.CCC(=O)N1CCn2c(C3CCN(C)CC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.CCC(=O)c1ccc(-c2cc3cccc(-c4nc(C5CCOCC5)n5c4CN(C(=O)CC)CC5)c3cn2)cn1.

What is the InChIKey of 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-(4-fluoro-4-methylcyclohexyl)-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-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[5-[8-[3-(oxan-4-yl)-7-propanoyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]-2-pyridinyl]propan-1-one?

The InChIKey is VANUHFHJURSAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O3.C30H35FN6O.C27H28F2N6O.C27H34N8O/c1-3-28(37)25-9-8-22(17-32-25)26-16-21-6-5-7-23(24(21)18-33-26)30-27-19-35(29(38)4-2)12-13-36(27)31(34-30)20-10-14-39-15-11-20;1-5-26(38)36-13-14-37-25(18-36)28(34-29(37)20-9-11-30(3,31)12-10-20)22-7-6-8-24-23(22)15-19(2)27(33-24)21-16-32-35(4)17-21;1-4-23(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;1-5-24(36)34-12-13-35-23(17-34)26(29-27(35)18-8-10-31(2)11-9-18)19-6-7-22-21(14-19)25(30-33(22)4)20-15-28-32(3)16-20/h5-9,16-18,20H,3-4,10-15,19H2,1-2H3;6-8,15-17,20H,5,9-14,18H2,1-4H3;5-7,10,13-14,17H,4,8-9,11-12,15H2,1-3H3;6-7,14-16,18H,5,8-13,17H2,1-4H3.

What are the key properties of 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-(4-fluoro-4-methylcyclohexyl)-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-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[5-[8-[3-(oxan-4-yl)-7-propanoyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]-2-pyridinyl]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-(4-fluoro-4-methylcyclohexyl)-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-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[5-[8-[3-(oxan-4-yl)-7-propanoyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]-2-pyridinyl]propan-1-one has a molecular weight of 2015.47 g/mol, XLogP of 19.82, 18 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(4-fluoro-4-methylcyclohexyl)-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-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[5-[8-[3-(oxan-4-yl)-7-propanoyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]isoquinolin-3-yl]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 161245217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).