1-[(2S)-2-[8-amino-1-[4-[benzyl(methyl)amino]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one

C107H101F4N21O8 — CID 158468935

About 1-[(2S)-2-[8-amino-1-[4-[benzyl(methyl)amino]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one

1-[(2S)-2-[8-amino-1-[4-[benzyl(methyl)amino]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 158468935) has the molecular formula C107H101F4N21O8 and a molecular weight of 1885.12 g/mol. Its IUPAC name is 1-[(2S)-2-[8-amino-1-[4-[benzyl(methyl)amino]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[(2S)-2-[8-amino-1-[4-[benzyl(methyl)amino]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
• PubChem CID: 158468935
• Molecular Formula: C107H101F4N21O8
• Molecular Weight: 1885.12 g/mol
• Exact Mass: 1883.81
• IUPAC Name: 1-[(2S)-2-[8-amino-1-[4-[benzyl(methyl)amino]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
• SMILES: C#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(N(C)Cc3ccccc3)cc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(F)cc3)cc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(OC)cc3)cc2)c2c(N)nccn12
• InChI: InChI=1S/C27H24F3N5O2.C27H26N6O.C27H27N5O3.C26H24FN5O2/c1-2-22(36)34-14-3-4-21(34)26-33-23(24-25(31)32-13-15-35(24)26)18-7-11-20(12-8-18)37-16-17-5-9-19(10-6-17)27(28,29)30;1-3-23(34)32-16-7-10-22(32)27-30-24(25-26(28)29-15-17-33(25)27)20-11-13-21(14-12-20)31(2)18-19-8-5-4-6-9-19;1-3-23(33)31-15-4-5-22(31)27-30-24(25-26(28)29-14-16-32(25)27)19-8-12-21(13-9-19)35-17-18-6-10-20(34-2)11-7-18;1-2-22(33)31-14-3-4-21(31)26-30-23(24-25(28)29-13-15-32(24)26)18-7-11-20(12-8-18)34-16-17-5-9-19(27)10-6-17/h2,5-13,15,21H,1,3-4,14,16H2,(H2,31,32);1,4-6,8-9,11-15,17,22H,7,10,16,18H2,2H3,(H2,28,29);3,6-14,16,22H,1,4-5,15,17H2,2H3,(H2,28,29);2,5-13,15,21H,1,3-4,14,16H2,(H2,28,29)/t21-;2*22-;21-/m0000/s1
• InChIKey: HGCKHAOOYGVITF-ISOIDIAISA-N
• XLogP: 18.30
• TPSA: 346.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1885.12
LogP ≤ 5	18.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

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-[8-amino-1-[4-[benzyl(methyl)amino]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[(2S)-2-[8-amino-1-[4-[benzyl(methyl)amino]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one (CID 158468935) is 1-[(2S)-2-[8-amino-1-[4-[benzyl(methyl)amino]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[(2S)-2-[8-amino-1-[4-[benzyl(methyl)amino]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[(2S)-2-[8-amino-1-[4-[benzyl(methyl)amino]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one is C#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(N(C)Cc3ccccc3)cc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(F)cc3)cc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(OC)cc3)cc2)c2c(N)nccn12.

What is the InChIKey of 1-[(2S)-2-[8-amino-1-[4-[benzyl(methyl)amino]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one?

The InChIKey is HGCKHAOOYGVITF-ISOIDIAISA-N. The full InChI is InChI=1S/C27H24F3N5O2.C27H26N6O.C27H27N5O3.C26H24FN5O2/c1-2-22(36)34-14-3-4-21(34)26-33-23(24-25(31)32-13-15-35(24)26)18-7-11-20(12-8-18)37-16-17-5-9-19(10-6-17)27(28,29)30;1-3-23(34)32-16-7-10-22(32)27-30-24(25-26(28)29-15-17-33(25)27)20-11-13-21(14-12-20)31(2)18-19-8-5-4-6-9-19;1-3-23(33)31-15-4-5-22(31)27-30-24(25-26(28)29-14-16-32(25)27)19-8-12-21(13-9-19)35-17-18-6-10-20(34-2)11-7-18;1-2-22(33)31-14-3-4-21(31)26-30-23(24-25(28)29-13-15-32(24)26)18-7-11-20(12-8-18)34-16-17-5-9-19(27)10-6-17/h2,5-13,15,21H,1,3-4,14,16H2,(H2,31,32);1,4-6,8-9,11-15,17,22H,7,10,16,18H2,2H3,(H2,28,29);3,6-14,16,22H,1,4-5,15,17H2,2H3,(H2,28,29);2,5-13,15,21H,1,3-4,14,16H2,(H2,28,29)/t21-;2*22-;21-/m0000/s1.

What are the key properties of 1-[(2S)-2-[8-amino-1-[4-[benzyl(methyl)amino]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one?

1-[(2S)-2-[8-amino-1-[4-[benzyl(methyl)amino]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 1885.12 g/mol, XLogP of 18.30, 24 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[8-amino-1-[4-[benzyl(methyl)amino]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 158468935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).