1-[(2S)-2-[1-[4-(3-chloro-2-fluorophenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(3-ethylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methane;1-[(2S)-2-[1-[4-(3-methoxyphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one

C116H117ClF2N16O9 — CID 159770331

About 1-[(2S)-2-[1-[4-(3-chloro-2-fluorophenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(3-ethylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methane;1-[(2S)-2-[1-[4-(3-methoxyphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one

1-[(2S)-2-[1-[4-(3-chloro-2-fluorophenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(3-ethylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methane;1-[(2S)-2-[1-[4-(3-methoxyphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one (PubChem CID 159770331) has the molecular formula C116H117ClF2N16O9 and a molecular weight of 1952.76 g/mol. Its IUPAC name is 1-[(2S)-2-[1-[4-(3-chloro-2-fluorophenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(3-ethylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methane;1-[(2S)-2-[1-[4-(3-methoxyphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one.

Molecular Properties

• Compound Name: 1-[(2S)-2-[1-[4-(3-chloro-2-fluorophenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(3-ethylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methane;1-[(2S)-2-[1-[4-(3-methoxyphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one
• PubChem CID: 159770331
• Molecular Formula: C116H117ClF2N16O9
• Molecular Weight: 1952.76 g/mol
• Exact Mass: 1950.88
• IUPAC Name: 1-[(2S)-2-[1-[4-(3-chloro-2-fluorophenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(3-ethylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methane;1-[(2S)-2-[1-[4-(3-methoxyphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one
• SMILES: C.C.C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(C)c3F)cc2)c2c(C)nccn12.C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(CC)c3)cc2)c2c(C)nccn12.CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(Cl)c3F)cc2)c2c(C)nccn12.CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(OC)c3)cc2)c2c(C)nccn12
• InChI: InChI=1S/C29H28N4O3.C29H30N4O2.C28H24ClFN4O2.C28H27FN4O2.2CH4/c1-4-8-26(34)32-17-6-5-11-25(32)29-31-27(28-20(2)30-16-18-33(28)29)21-12-14-22(15-13-21)36-24-10-7-9-23(19-24)35-3;1-4-21-9-8-10-24(19-21)35-23-14-12-22(13-15-23)27-28-20(3)30-16-18-33(28)29(31-27)25-11-6-7-17-32(25)26(34)5-2;1-3-7-24(35)33-16-5-4-9-22(33)28-32-26(27-18(2)31-15-17-34(27)28)19-11-13-20(14-12-19)36-23-10-6-8-21(29)25(23)30;1-4-24(34)32-16-6-5-9-22(32)28-31-26(27-19(3)30-15-17-33(27)28)20-11-13-21(14-12-20)35-23-10-7-8-18(2)25(23)29;;/h7,9-10,12-16,18-19,25H,5-6,11,17H2,1-3H3;5,8-10,12-16,18-19,25H,2,4,6-7,11,17H2,1,3H3;6,8,10-15,17,22H,4-5,9,16H2,1-2H3;4,7-8,10-15,17,22H,1,5-6,9,16H2,2-3H3;2*1H4/t2*25-;2*22-;;/m0000../s1
• InChIKey: NGALZXAAGWQMJN-DLZMPCHVSA-N
• XLogP: 25.70
• TPSA: 248.15 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1952.76
LogP ≤ 5	25.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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-(3-chloro-2-fluorophenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(3-ethylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methane;1-[(2S)-2-[1-[4-(3-methoxyphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one?

The IUPAC name of 1-[(2S)-2-[1-[4-(3-chloro-2-fluorophenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(3-ethylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methane;1-[(2S)-2-[1-[4-(3-methoxyphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one (CID 159770331) is 1-[(2S)-2-[1-[4-(3-chloro-2-fluorophenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(3-ethylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methane;1-[(2S)-2-[1-[4-(3-methoxyphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one.

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

The canonical SMILES for 1-[(2S)-2-[1-[4-(3-chloro-2-fluorophenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(3-ethylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methane;1-[(2S)-2-[1-[4-(3-methoxyphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one is C.C.C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(C)c3F)cc2)c2c(C)nccn12.C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(CC)c3)cc2)c2c(C)nccn12.CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(Cl)c3F)cc2)c2c(C)nccn12.CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(OC)c3)cc2)c2c(C)nccn12.

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

The InChIKey is NGALZXAAGWQMJN-DLZMPCHVSA-N. The full InChI is InChI=1S/C29H28N4O3.C29H30N4O2.C28H24ClFN4O2.C28H27FN4O2.2CH4/c1-4-8-26(34)32-17-6-5-11-25(32)29-31-27(28-20(2)30-16-18-33(28)29)21-12-14-22(15-13-21)36-24-10-7-9-23(19-24)35-3;1-4-21-9-8-10-24(19-21)35-23-14-12-22(13-15-23)27-28-20(3)30-16-18-33(28)29(31-27)25-11-6-7-17-32(25)26(34)5-2;1-3-7-24(35)33-16-5-4-9-22(33)28-32-26(27-18(2)31-15-17-34(27)28)19-11-13-20(14-12-19)36-23-10-6-8-21(29)25(23)30;1-4-24(34)32-16-6-5-9-22(32)28-31-26(27-19(3)30-15-17-33(27)28)20-11-13-21(14-12-20)35-23-10-7-8-18(2)25(23)29;;/h7,9-10,12-16,18-19,25H,5-6,11,17H2,1-3H3;5,8-10,12-16,18-19,25H,2,4,6-7,11,17H2,1,3H3;6,8,10-15,17,22H,4-5,9,16H2,1-2H3;4,7-8,10-15,17,22H,1,5-6,9,16H2,2-3H3;2*1H4/t2*25-;2*22-;;/m0000../s1.

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

1-[(2S)-2-[1-[4-(3-chloro-2-fluorophenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(3-ethylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methane;1-[(2S)-2-[1-[4-(3-methoxyphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one has a molecular weight of 1952.76 g/mol, XLogP of 25.70, 20 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[1-[4-(3-chloro-2-fluorophenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(3-ethylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methylphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methane;1-[(2S)-2-[1-[4-(3-methoxyphenoxy)phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one is sourced from PubChem (CID 159770331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).