1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one

C116H110F6N16O8 — CID 157306336

About 1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one

1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 157306336) has the molecular formula C116H110F6N16O8 and a molecular weight of 1970.25 g/mol. Its IUPAC name is 1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one
• PubChem CID: 157306336
• Molecular Formula: C116H110F6N16O8
• Molecular Weight: 1970.25 g/mol
• Exact Mass: 1968.86
• IUPAC Name: 1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(COc3ccc(F)c(C)c3)cc2)c2c(C)nccn12.C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(OCc3cccc(F)c3F)cc2)c2c(C)nccn12.CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(COc3ccc(F)c(C)c3)cc2)c2c(C)nccn12.CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(OCc3cccc(F)c3F)cc2)c2c(C)nccn12
• InChI: InChI=1S/C30H29FN4O2.C29H26F2N4O2.C29H29FN4O2.C28H26F2N4O2/c1-4-7-27(36)34-16-6-5-8-26(34)30-33-28(29-21(3)32-15-17-35(29)30)23-11-9-22(10-12-23)19-37-24-13-14-25(31)20(2)18-24;1-3-7-25(36)34-16-5-4-10-24(34)29-33-27(28-19(2)32-15-17-35(28)29)20-11-13-22(14-12-20)37-18-21-8-6-9-23(30)26(21)31;1-4-26(35)33-15-6-5-7-25(33)29-32-27(28-20(3)31-14-16-34(28)29)22-10-8-21(9-11-22)18-36-23-12-13-24(30)19(2)17-23;1-3-24(35)33-15-5-4-9-23(33)28-32-26(27-18(2)31-14-16-34(27)28)19-10-12-21(13-11-19)36-17-20-7-6-8-22(29)25(20)30/h9-15,17-18,26H,5-6,8,16,19H2,1-3H3;6,8-9,11-15,17,24H,4-5,10,16,18H2,1-2H3;4,8-14,16-17,25H,1,5-7,15,18H2,2-3H3;3,6-8,10-14,16,23H,1,4-5,9,15,17H2,2H3/t26-;24-;25-;23-/m0000/s1
• InChIKey: BCNCWNVFGZQGQQ-NFQHHIOFSA-N
• XLogP: 23.22
• TPSA: 238.92 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1970.25
LogP ≤ 5	23.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one (CID 157306336) is 1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(COc3ccc(F)c(C)c3)cc2)c2c(C)nccn12.C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(OCc3cccc(F)c3F)cc2)c2c(C)nccn12.CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(COc3ccc(F)c(C)c3)cc2)c2c(C)nccn12.CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(OCc3cccc(F)c3F)cc2)c2c(C)nccn12.

What is the InChIKey of 1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one?

The InChIKey is BCNCWNVFGZQGQQ-NFQHHIOFSA-N. The full InChI is InChI=1S/C30H29FN4O2.C29H26F2N4O2.C29H29FN4O2.C28H26F2N4O2/c1-4-7-27(36)34-16-6-5-8-26(34)30-33-28(29-21(3)32-15-17-35(29)30)23-11-9-22(10-12-23)19-37-24-13-14-25(31)20(2)18-24;1-3-7-25(36)34-16-5-4-10-24(34)29-33-27(28-19(2)32-15-17-35(28)29)20-11-13-22(14-12-20)37-18-21-8-6-9-23(30)26(21)31;1-4-26(35)33-15-6-5-7-25(33)29-32-27(28-20(3)31-14-16-34(28)29)22-10-8-21(9-11-22)18-36-23-12-13-24(30)19(2)17-23;1-3-24(35)33-15-5-4-9-23(33)28-32-26(27-18(2)31-14-16-34(27)28)19-10-12-21(13-11-19)36-17-20-7-6-8-22(29)25(20)30/h9-15,17-18,26H,5-6,8,16,19H2,1-3H3;6,8-9,11-15,17,24H,4-5,10,16,18H2,1-2H3;4,8-14,16-17,25H,1,5-7,15,18H2,2-3H3;3,6-8,10-14,16,23H,1,4-5,9,15,17H2,2H3/t26-;24-;25-;23-/m0000/s1.

What are the key properties of 1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one?

1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 1970.25 g/mol, XLogP of 23.22, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(2,3-difluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(4-fluoro-3-methylphenoxy)methyl]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 157306336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).