1-(2-amino-6-chloro-3-pyridinyl)-3-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]propan-2-one;2-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]acetic acid;ethyl 2-(5-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-chloroimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate

C86H96BrCl4N21O11 — CID 158694007

About 1-(2-amino-6-chloro-3-pyridinyl)-3-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]propan-2-one;2-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]acetic acid;ethyl 2-(5-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-chloroimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate

1-(2-amino-6-chloro-3-pyridinyl)-3-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]propan-2-one;2-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]acetic acid;ethyl 2-(5-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-chloroimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate (PubChem CID 158694007) has the molecular formula C86H96BrCl4N21O11 and a molecular weight of 1821.57 g/mol. Its IUPAC name is 1-(2-amino-6-chloro-3-pyridinyl)-3-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]propan-2-one;2-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]acetic acid;ethyl 2-(5-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-chloroimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate.

Molecular Properties

• Compound Name: 1-(2-amino-6-chloro-3-pyridinyl)-3-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]propan-2-one;2-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]acetic acid;ethyl 2-(5-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-chloroimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate
• PubChem CID: 158694007
• Molecular Formula: C86H96BrCl4N21O11
• Molecular Weight: 1821.57 g/mol
• Exact Mass: 1817.55
• IUPAC Name: 1-(2-amino-6-chloro-3-pyridinyl)-3-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]propan-2-one;2-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]acetic acid;ethyl 2-(5-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-chloroimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate
• SMILES: CCOC(=O)Cc1cn2c(Br)cnc(N3CCCCC3)c2n1.CCOC(=O)Cc1cn2ccnc(Cl)c2n1.CCOC(=O)Cc1cn2ccnc(N3CCCCC3)c2n1.COc1ccc(-c2cnc(N3CCCCC3)c3nc(CC(=O)Cc4ccc(Cl)nc4N)cn23)c(Cl)c1.COc1ccc(-c2cnc(N3CCCCC3)c3nc(CC(=O)O)cn23)c(Cl)c1
• InChI: InChI=1S/C26H26Cl2N6O2.C20H21ClN4O3.C15H19BrN4O2.C15H20N4O2.C10H10ClN3O2/c1-36-19-6-7-20(21(27)13-19)22-14-30-25(33-9-3-2-4-10-33)26-31-17(15-34(22)26)12-18(35)11-16-5-8-23(28)32-24(16)29;1-28-14-5-6-15(16(21)10-14)17-11-22-19(24-7-3-2-4-8-24)20-23-13(9-18(26)27)12-25(17)20;1-2-22-13(21)8-11-10-20-12(16)9-17-14(15(20)18-11)19-6-4-3-5-7-19;1-2-21-13(20)10-12-11-19-9-6-16-14(15(19)17-12)18-7-4-3-5-8-18;1-2-16-8(15)5-7-6-14-4-3-12-9(11)10(14)13-7/h5-8,13-15H,2-4,9-12H2,1H3,(H2,29,32);5-6,10-12H,2-4,7-9H2,1H3,(H,26,27);9-10H,2-8H2,1H3;6,9,11H,2-5,7-8,10H2,1H3;3-4,6H,2,5H2,1H3
• InChIKey: IGSANIRYLWYYOS-UHFFFAOYSA-N
• XLogP: 14.61
• TPSA: 354.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1821.57
LogP ≤ 5	14.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chloro-3-pyridinyl)-3-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]propan-2-one;2-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]acetic acid;ethyl 2-(5-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-chloroimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate?

The IUPAC name of 1-(2-amino-6-chloro-3-pyridinyl)-3-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]propan-2-one;2-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]acetic acid;ethyl 2-(5-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-chloroimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate (CID 158694007) is 1-(2-amino-6-chloro-3-pyridinyl)-3-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]propan-2-one;2-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]acetic acid;ethyl 2-(5-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-chloroimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate.

What is the SMILES notation for 1-(2-amino-6-chloro-3-pyridinyl)-3-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]propan-2-one;2-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]acetic acid;ethyl 2-(5-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-chloroimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate?

The canonical SMILES for 1-(2-amino-6-chloro-3-pyridinyl)-3-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]propan-2-one;2-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]acetic acid;ethyl 2-(5-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-chloroimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate is CCOC(=O)Cc1cn2c(Br)cnc(N3CCCCC3)c2n1.CCOC(=O)Cc1cn2ccnc(Cl)c2n1.CCOC(=O)Cc1cn2ccnc(N3CCCCC3)c2n1.COc1ccc(-c2cnc(N3CCCCC3)c3nc(CC(=O)Cc4ccc(Cl)nc4N)cn23)c(Cl)c1.COc1ccc(-c2cnc(N3CCCCC3)c3nc(CC(=O)O)cn23)c(Cl)c1.

What is the InChIKey of 1-(2-amino-6-chloro-3-pyridinyl)-3-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]propan-2-one;2-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]acetic acid;ethyl 2-(5-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-chloroimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate?

The InChIKey is IGSANIRYLWYYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N6O2.C20H21ClN4O3.C15H19BrN4O2.C15H20N4O2.C10H10ClN3O2/c1-36-19-6-7-20(21(27)13-19)22-14-30-25(33-9-3-2-4-10-33)26-31-17(15-34(22)26)12-18(35)11-16-5-8-23(28)32-24(16)29;1-28-14-5-6-15(16(21)10-14)17-11-22-19(24-7-3-2-4-8-24)20-23-13(9-18(26)27)12-25(17)20;1-2-22-13(21)8-11-10-20-12(16)9-17-14(15(20)18-11)19-6-4-3-5-7-19;1-2-21-13(20)10-12-11-19-9-6-16-14(15(19)17-12)18-7-4-3-5-8-18;1-2-16-8(15)5-7-6-14-4-3-12-9(11)10(14)13-7/h5-8,13-15H,2-4,9-12H2,1H3,(H2,29,32);5-6,10-12H,2-4,7-9H2,1H3,(H,26,27);9-10H,2-8H2,1H3;6,9,11H,2-5,7-8,10H2,1H3;3-4,6H,2,5H2,1H3.

What are the key properties of 1-(2-amino-6-chloro-3-pyridinyl)-3-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]propan-2-one;2-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]acetic acid;ethyl 2-(5-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-chloroimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate?

1-(2-amino-6-chloro-3-pyridinyl)-3-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]propan-2-one;2-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]acetic acid;ethyl 2-(5-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-chloroimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate has a molecular weight of 1821.57 g/mol, XLogP of 14.61, 23 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-6-chloro-3-pyridinyl)-3-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]propan-2-one;2-[5-(2-chloro-4-methoxyphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]acetic acid;ethyl 2-(5-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-chloroimidazo[1,2-a]pyrazin-2-yl)acetate;ethyl 2-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)acetate is sourced from PubChem (CID 158694007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).