5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide

C107H111Cl4F5N20O9 — CID 160502938

About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide (PubChem CID 160502938) has the molecular formula C107H111Cl4F5N20O9 and a molecular weight of 2058.00 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide
• PubChem CID: 160502938
• Molecular Formula: C107H111Cl4F5N20O9
• Molecular Weight: 2058.00 g/mol
• Exact Mass: 2054.75
• IUPAC Name: 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide
• SMILES: COc1ccc(NC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)c(C)c1.Cc1cccc(NC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)c1.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)Nc3cccc4ccccc34)c2OC(C)C)n2ccnc(N)c12.[H]/N=C(\N)c1c(C)nc(C(C)c2cc(Cl)c(F)c(C(=O)Nc3c(C)cccc3F)c2OC(C)C)n1C
• InChI: InChI=1S/C29H27ClFN5O2.C27H29ClFN5O3.C26H27ClFN5O2.C25H28ClF2N5O2/c1-15(2)38-26-20(16(3)28-34-17(4)25-27(32)33-12-13-36(25)28)14-21(30)24(31)23(26)29(37)35-22-11-7-9-18-8-5-6-10-19(18)22;1-13(2)37-24-18(15(4)26-32-16(5)23-25(30)31-9-10-34(23)26)12-19(28)22(29)21(24)27(35)33-20-8-7-17(36-6)11-14(20)3;1-13(2)35-23-18(15(4)25-31-16(5)22-24(29)30-9-10-33(22)25)12-19(27)21(28)20(23)26(34)32-17-8-6-7-14(3)11-17;1-11(2)35-22-15(13(4)24-31-14(5)21(23(29)30)33(24)6)10-16(26)19(28)18(22)25(34)32-20-12(3)8-7-9-17(20)27/h5-16H,1-4H3,(H2,32,33)(H,35,37);7-13,15H,1-6H3,(H2,30,31)(H,33,35);6-13,15H,1-5H3,(H2,29,30)(H,32,34);7-11,13H,1-6H3,(H3,29,30)(H,32,34)
• InChIKey: QSAHDFBXDPAUDL-UHFFFAOYSA-N
• XLogP: 24.03
• TPSA: 398.87 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2058.00
LogP ≤ 5	24.03
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide?

The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide (CID 160502938) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide.

What is the SMILES notation for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide?

The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide is COc1ccc(NC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)c(C)c1.Cc1cccc(NC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)c1.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)Nc3cccc4ccccc34)c2OC(C)C)n2ccnc(N)c12.[H]/N=C(\N)c1c(C)nc(C(C)c2cc(Cl)c(F)c(C(=O)Nc3c(C)cccc3F)c2OC(C)C)n1C.

What is the InChIKey of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide?

The InChIKey is QSAHDFBXDPAUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClFN5O2.C27H29ClFN5O3.C26H27ClFN5O2.C25H28ClF2N5O2/c1-15(2)38-26-20(16(3)28-34-17(4)25-27(32)33-12-13-36(25)28)14-21(30)24(31)23(26)29(37)35-22-11-7-9-18-8-5-6-10-19(18)22;1-13(2)37-24-18(15(4)26-32-16(5)23-25(30)31-9-10-34(23)26)12-19(28)22(29)21(24)27(35)33-20-8-7-17(36-6)11-14(20)3;1-13(2)35-23-18(15(4)25-31-16(5)22-24(29)30-9-10-33(22)25)12-19(27)21(28)20(23)26(34)32-17-8-6-7-14(3)11-17;1-11(2)35-22-15(13(4)24-31-14(5)21(23(29)30)33(24)6)10-16(26)19(28)18(22)25(34)32-20-12(3)8-7-9-17(20)27/h5-16H,1-4H3,(H2,32,33)(H,35,37);7-13,15H,1-6H3,(H2,30,31)(H,33,35);6-13,15H,1-5H3,(H2,29,30)(H,32,34);7-11,13H,1-6H3,(H3,29,30)(H,32,34).

What are the key properties of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide?

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide has a molecular weight of 2058.00 g/mol, XLogP of 24.03, 26 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide is sourced from PubChem (CID 160502938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).