3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide;3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

C118H119F9N26O4 — CID 159724371

About 3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide;3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide;3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 159724371) has the molecular formula C118H119F9N26O4 and a molecular weight of 2136.41 g/mol. Its IUPAC name is 3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide;3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide;3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 159724371
• Molecular Formula: C118H119F9N26O4
• Molecular Weight: 2136.41 g/mol
• Exact Mass: 2134.98
• IUPAC Name: 3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide;3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
• SMILES: CCc1nc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)c2c(N)nccn12.CCc1nc(C#Cc2cc(C(=O)Nc3cccc(C)c3)ccc2C)c2c(N)nccn12.Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1nc(C(C)C)n2ccnc(N)c12.Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1nc(C)n2ccnc(N)c12
• InChI: InChI=1S/C32H34F3N7O.C31H32F3N7O.C30H30F3N7O.C25H23N5O/c1-20(2)30-39-27(28-29(36)37-11-12-42(28)30)10-8-22-17-23(6-5-21(22)3)31(43)38-25-9-7-24(26(18-25)32(33,34)35)19-41-15-13-40(4)14-16-41;1-4-27-38-26(28-29(35)36-11-12-41(27)28)10-8-21-17-22(6-5-20(21)2)30(42)37-24-9-7-23(25(18-24)31(32,33)34)19-40-15-13-39(3)14-16-40;1-19-4-5-22(16-21(19)7-9-26-27-28(34)35-10-11-40(27)20(2)36-26)29(41)37-24-8-6-23(25(17-24)30(31,32)33)18-39-14-12-38(3)13-15-39;1-4-22-29-21(23-24(26)27-12-13-30(22)23)11-10-18-15-19(9-8-17(18)3)25(31)28-20-7-5-6-16(2)14-20/h5-7,9,11-12,17-18,20H,13-16,19H2,1-4H3,(H2,36,37)(H,38,43);5-7,9,11-12,17-18H,4,13-16,19H2,1-3H3,(H2,35,36)(H,37,42);4-6,8,10-11,16-17H,12-15,18H2,1-3H3,(H2,34,35)(H,37,41);5-9,12-15H,4H2,1-3H3,(H2,26,27)(H,28,31)
• InChIKey: NALFUSHTYIOUNR-UHFFFAOYSA-N
• XLogP: 18.25
• TPSA: 360.68 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2136.41
LogP ≤ 5	18.25
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide;3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide;3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide (CID 159724371) is 3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide;3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide;3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide;3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide is CCc1nc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)c2c(N)nccn12.CCc1nc(C#Cc2cc(C(=O)Nc3cccc(C)c3)ccc2C)c2c(N)nccn12.Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1nc(C(C)C)n2ccnc(N)c12.Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1nc(C)n2ccnc(N)c12.

What is the InChIKey of 3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide;3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide?

The InChIKey is NALFUSHTYIOUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N7O.C31H32F3N7O.C30H30F3N7O.C25H23N5O/c1-20(2)30-39-27(28-29(36)37-11-12-42(28)30)10-8-22-17-23(6-5-21(22)3)31(43)38-25-9-7-24(26(18-25)32(33,34)35)19-41-15-13-40(4)14-16-41;1-4-27-38-26(28-29(35)36-11-12-41(27)28)10-8-21-17-22(6-5-20(21)2)30(42)37-24-9-7-23(25(18-24)31(32,33)34)19-40-15-13-39(3)14-16-40;1-19-4-5-22(16-21(19)7-9-26-27-28(34)35-10-11-40(27)20(2)36-26)29(41)37-24-8-6-23(25(17-24)30(31,32)33)18-39-14-12-38(3)13-15-39;1-4-22-29-21(23-24(26)27-12-13-30(22)23)11-10-18-15-19(9-8-17(18)3)25(31)28-20-7-5-6-16(2)14-20/h5-7,9,11-12,17-18,20H,13-16,19H2,1-4H3,(H2,36,37)(H,38,43);5-7,9,11-12,17-18H,4,13-16,19H2,1-3H3,(H2,35,36)(H,37,42);4-6,8,10-11,16-17H,12-15,18H2,1-3H3,(H2,34,35)(H,37,41);5-9,12-15H,4H2,1-3H3,(H2,26,27)(H,28,31).

What are the key properties of 3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide;3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide?

3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide;3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 2136.41 g/mol, XLogP of 18.25, 17 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide;3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 159724371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).