1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one

C114H108N20O8 — CID 158488755

About 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one

1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one (PubChem CID 158488755) has the molecular formula C114H108N20O8 and a molecular weight of 1886.25 g/mol. Its IUPAC name is 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one
• PubChem CID: 158488755
• Molecular Formula: C114H108N20O8
• Molecular Weight: 1886.25 g/mol
• Exact Mass: 1884.87
• IUPAC Name: 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CC2CCCC2C1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12.C=CC(=O)N1C[C@H]2[C@@H]([C@H]1c1nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn13)C2(C)C.CC#CC(=O)N1CC2CCCC2C1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12.CC#CC(=O)N1C[C@H]2[C@@H]([C@H]1c1nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn13)C2(C)C
• InChI: InChI=1S/2C29H27N5O2.2C28H27N5O2/c1-4-8-22(35)34-17-21-23(29(21,2)3)25(34)28-32-24(26-27(30)31-15-16-33(26)28)18-11-13-20(14-12-18)36-19-9-6-5-7-10-19;1-2-7-24(35)34-18-20-8-6-11-23(20)26(34)29-32-25(27-28(30)31-16-17-33(27)29)19-12-14-22(15-13-19)36-21-9-4-3-5-10-21;1-4-21(34)33-16-20-22(28(20,2)3)24(33)27-31-23(25-26(29)30-14-15-32(25)27)17-10-12-19(13-11-17)35-18-8-6-5-7-9-18;1-2-23(34)33-17-19-7-6-10-22(19)25(33)28-31-24(26-27(29)30-15-16-32(26)28)18-11-13-21(14-12-18)35-20-8-4-3-5-9-20/h5-7,9-16,21,23,25H,17H2,1-3H3,(H2,30,31);3-5,9-10,12-17,20,23,26H,6,8,11,18H2,1H3,(H2,30,31);4-15,20,22,24H,1,16H2,2-3H3,(H2,29,30);2-5,8-9,11-16,19,22,25H,1,6-7,10,17H2,(H2,29,30)/t21-,23-,25-;;20-,22-,24-;/m0.0./s1
• InChIKey: HIKXKTBXPYATJH-HUSTWYEASA-N
• XLogP: 20.41
• TPSA: 343.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1886.25
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

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-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one?

The IUPAC name of 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one (CID 158488755) is 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one?

The canonical SMILES for 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one is C=CC(=O)N1CC2CCCC2C1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12.C=CC(=O)N1C[C@H]2[C@@H]([C@H]1c1nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn13)C2(C)C.CC#CC(=O)N1CC2CCCC2C1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12.CC#CC(=O)N1C[C@H]2[C@@H]([C@H]1c1nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn13)C2(C)C.

What is the InChIKey of 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one?

The InChIKey is HIKXKTBXPYATJH-HUSTWYEASA-N. The full InChI is InChI=1S/2C29H27N5O2.2C28H27N5O2/c1-4-8-22(35)34-17-21-23(29(21,2)3)25(34)28-32-24(26-27(30)31-15-16-33(26)28)18-11-13-20(14-12-18)36-19-9-6-5-7-10-19;1-2-7-24(35)34-18-20-8-6-11-23(20)26(34)29-32-25(27-28(30)31-16-17-33(27)29)19-12-14-22(15-13-19)36-21-9-4-3-5-10-21;1-4-21(34)33-16-20-22(28(20,2)3)24(33)27-31-23(25-26(29)30-14-15-32(25)27)17-10-12-19(13-11-17)35-18-8-6-5-7-9-18;1-2-23(34)33-17-19-7-6-10-22(19)25(33)28-31-24(26-27(29)30-15-16-32(26)28)18-11-13-21(14-12-18)35-20-8-4-3-5-9-20/h5-7,9-16,21,23,25H,17H2,1-3H3,(H2,30,31);3-5,9-10,12-17,20,23,26H,6,8,11,18H2,1H3,(H2,30,31);4-15,20,22,24H,1,16H2,2-3H3,(H2,29,30);2-5,8-9,11-16,19,22,25H,1,6-7,10,17H2,(H2,29,30)/t21-,23-,25-;;20-,22-,24-;/m0.0./s1.

What are the key properties of 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one?

1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one has a molecular weight of 1886.25 g/mol, XLogP of 20.41, 18 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]but-2-yn-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one;1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one is sourced from PubChem (CID 158488755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).