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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-2-yl-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-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(1-phenylethyl)-6-propan-2-yloxybenzamide

C112H112Cl4F4N20O9 — CID 161474569

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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-2-yl-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-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(1-phenylethyl)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-2-yl-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-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(1-phenylethyl)-6-propan-2-yloxybenzamide (PubChem CID 161474569) has the molecular formula C112H112Cl4F4N20O9 and a molecular weight of 2100.06 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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-2-yl-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-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(1-phenylethyl)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-2-yl-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-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(1-phenylethyl)-6-propan-2-yloxybenzamide
• PubChem CID: 161474569
• Molecular Formula: C112H112Cl4F4N20O9
• Molecular Weight: 2100.06 g/mol
• Exact Mass: 2096.76
• 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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-2-yl-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-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(1-phenylethyl)-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.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)c3ccccc3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)Nc3cccc4ccccc34)c2OC(C)C)n2ccnc(N)c12.Cc1nc([C@@H](C)c2cc(Cl)c(F)c(C(=O)Nc3ccc4ccccc4c3)c2OC(C)C)n2ccnc(N)c12
• InChI: InChI=1S/2C29H27ClFN5O2.C27H29ClFN5O3.C27H29ClFN5O2/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;1-15(2)38-26-21(16(3)28-34-17(4)25-27(32)33-11-12-36(25)28)14-22(30)24(31)23(26)29(37)35-20-10-9-18-7-5-6-8-19(18)13-20;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;1-14(2)36-24-19(15(3)26-32-17(5)23-25(30)31-11-12-34(23)26)13-20(28)22(29)21(24)27(35)33-16(4)18-9-7-6-8-10-18/h2*5-16H,1-4H3,(H2,32,33)(H,35,37);7-13,15H,1-6H3,(H2,30,31)(H,33,35);6-16H,1-5H3,(H2,30,31)(H,33,35)/t;16-;;/m.0../s1
• InChIKey: WDNRJEABMVVIEC-JVNATMDVSA-N
• XLogP: 25.28
• TPSA: 387.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2100.06
LogP ≤ 5	25.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-2-yl-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-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(1-phenylethyl)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-2-yl-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-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(1-phenylethyl)-6-propan-2-yloxybenzamide (CID 161474569) 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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-2-yl-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-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(1-phenylethyl)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-2-yl-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-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(1-phenylethyl)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-2-yl-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-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(1-phenylethyl)-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.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)c3ccccc3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)Nc3cccc4ccccc34)c2OC(C)C)n2ccnc(N)c12.Cc1nc([C@@H](C)c2cc(Cl)c(F)c(C(=O)Nc3ccc4ccccc4c3)c2OC(C)C)n2ccnc(N)c12.

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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-2-yl-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-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(1-phenylethyl)-6-propan-2-yloxybenzamide?

The InChIKey is WDNRJEABMVVIEC-JVNATMDVSA-N. The full InChI is InChI=1S/2C29H27ClFN5O2.C27H29ClFN5O3.C27H29ClFN5O2/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;1-15(2)38-26-21(16(3)28-34-17(4)25-27(32)33-11-12-36(25)28)14-22(30)24(31)23(26)29(37)35-20-10-9-18-7-5-6-8-19(18)13-20;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;1-14(2)36-24-19(15(3)26-32-17(5)23-25(30)31-11-12-34(23)26)13-20(28)22(29)21(24)27(35)33-16(4)18-9-7-6-8-10-18/h2*5-16H,1-4H3,(H2,32,33)(H,35,37);7-13,15H,1-6H3,(H2,30,31)(H,33,35);6-16H,1-5H3,(H2,30,31)(H,33,35)/t;16-;;/m.0../s1.

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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-2-yl-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-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(1-phenylethyl)-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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-2-yl-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-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(1-phenylethyl)-6-propan-2-yloxybenzamide has a molecular weight of 2100.06 g/mol, XLogP of 25.28, 26 rotatable bonds, 8 hydrogen bond donors, and 25 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-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-2-yl-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-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(1-phenylethyl)-6-propan-2-yloxybenzamide is sourced from PubChem (CID 161474569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).