3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate

C64H67Br2Cl3N18O5 — CID 157163883

About 3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate

3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate (PubChem CID 157163883) has the molecular formula C64H67Br2Cl3N18O5 and a molecular weight of 1434.53 g/mol. Its IUPAC name is 3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate
• PubChem CID: 157163883
• Molecular Formula: C64H67Br2Cl3N18O5
• Molecular Weight: 1434.53 g/mol
• Exact Mass: 1430.30
• IUPAC Name: 3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C#N)n3c(Br)c(-c4ccc(Cl)cc4)nc23)C1.CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C#N)n3cc(-c4ccc(Cl)cc4)nc23)C1.NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(-c3ccc(Cl)cc3)c(Br)n12
• InChI: InChI=1S/C23H24BrClN6O2.C23H25ClN6O2.C18H18BrClN6O/c1-23(2,3)33-22(32)30-10-4-5-16(13-30)28-20-21-29-18(14-6-8-15(25)9-7-14)19(24)31(21)17(11-26)12-27-20;1-23(2,3)32-22(31)29-10-4-5-17(13-29)27-20-21-28-19(15-6-8-16(24)9-7-15)14-30(21)18(11-25)12-26-20;19-15-14(10-3-5-11(20)6-4-10)25-18-17(24-12-2-1-7-22-8-12)23-9-13(16(21)27)26(15)18/h6-9,12,16H,4-5,10,13H2,1-3H3,(H,27,28);6-9,12,14,17H,4-5,10,13H2,1-3H3,(H,26,27);3-6,9,12,22H,1-2,7-8H2,(H2,21,27)(H,23,24)/t16-;17-;12-/m000/s1
• InChIKey: AMRMNYGWRMQHND-JWLBZSRBSA-N
• XLogP: 13.30
• TPSA: 288.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1434.53
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate?

The IUPAC name of 3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate (CID 157163883) is 3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate.

What is the SMILES notation for 3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate?

The canonical SMILES for 3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C#N)n3c(Br)c(-c4ccc(Cl)cc4)nc23)C1.CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C#N)n3cc(-c4ccc(Cl)cc4)nc23)C1.NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(-c3ccc(Cl)cc3)c(Br)n12.

What is the InChIKey of 3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate?

The InChIKey is AMRMNYGWRMQHND-JWLBZSRBSA-N. The full InChI is InChI=1S/C23H24BrClN6O2.C23H25ClN6O2.C18H18BrClN6O/c1-23(2,3)33-22(32)30-10-4-5-16(13-30)28-20-21-29-18(14-6-8-15(25)9-7-14)19(24)31(21)17(11-26)12-27-20;1-23(2,3)32-22(31)29-10-4-5-17(13-29)27-20-21-28-19(15-6-8-16(24)9-7-15)14-30(21)18(11-25)12-26-20;19-15-14(10-3-5-11(20)6-4-10)25-18-17(24-12-2-1-7-22-8-12)23-9-13(16(21)27)26(15)18/h6-9,12,16H,4-5,10,13H2,1-3H3,(H,27,28);6-9,12,14,17H,4-5,10,13H2,1-3H3,(H,26,27);3-6,9,12,22H,1-2,7-8H2,(H2,21,27)(H,23,24)/t16-;17-;12-/m000/s1.

What are the key properties of 3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate?

3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate has a molecular weight of 1434.53 g/mol, XLogP of 13.30, 10 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 157163883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).