[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone

C101H91Cl4N23O4S2 — CID 157439796

About [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone

[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 157439796) has the molecular formula C101H91Cl4N23O4S2 and a molecular weight of 1896.94 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

• Compound Name: [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone
• PubChem CID: 157439796
• Molecular Formula: C101H91Cl4N23O4S2
• Molecular Weight: 1896.94 g/mol
• Exact Mass: 1893.58
• IUPAC Name: [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone
• SMILES: N#Cc1ccccc1-c1cn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2cn1.O=C(c1ccnnc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1.O=C(c1cscn1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1.O=C(c1nccs1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
• InChI: InChI=1S/C28H24ClN5OS.C25H24ClN7O.C24H23ClN6OS.C24H20ClN5O/c29-23-9-6-21(7-10-23)26-24(19-32-13-15-33(16-14-32)28(35)27-30-12-17-36-27)34-18-22(8-11-25(34)31-26)20-4-2-1-3-5-20;26-20-5-3-18(4-6-20)24-22(33-15-21(17-1-2-17)27-14-23(33)30-24)16-31-9-11-32(12-10-31)25(34)19-7-8-28-29-13-19;25-18-5-3-17(4-6-18)23-21(31-12-19(16-1-2-16)26-11-22(31)28-23)13-29-7-9-30(10-8-29)24(32)20-14-33-15-27-20;25-19-7-5-17(6-8-19)24-22(16-29-9-11-31-12-10-29)30-15-21(27-14-23(30)28-24)20-4-2-1-3-18(20)13-26/h1-12,17-18H,13-16,19H2;3-8,13-15,17H,1-2,9-12,16H2;3-6,11-12,14-16H,1-2,7-10,13H2;1-8,14-15H,9-12,16H2
• InChIKey: BRNLEFHQFORCEW-UHFFFAOYSA-N
• XLogP: 18.17
• TPSA: 266.34 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1896.94
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone?

The IUPAC name of [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone (CID 157439796) is [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone.

What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone?

The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone is N#Cc1ccccc1-c1cn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2cn1.O=C(c1ccnnc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1.O=C(c1cscn1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1.O=C(c1nccs1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.

What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone?

The InChIKey is BRNLEFHQFORCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN5OS.C25H24ClN7O.C24H23ClN6OS.C24H20ClN5O/c29-23-9-6-21(7-10-23)26-24(19-32-13-15-33(16-14-32)28(35)27-30-12-17-36-27)34-18-22(8-11-25(34)31-26)20-4-2-1-3-5-20;26-20-5-3-18(4-6-20)24-22(33-15-21(17-1-2-17)27-14-23(33)30-24)16-31-9-11-32(12-10-31)25(34)19-7-8-28-29-13-19;25-18-5-3-17(4-6-18)23-21(31-12-19(16-1-2-16)26-11-22(31)28-23)13-29-7-9-30(10-8-29)24(32)20-14-33-15-27-20;25-19-7-5-17(6-8-19)24-22(16-29-9-11-31-12-10-29)30-15-21(27-14-23(30)28-24)20-4-2-1-3-18(20)13-26/h1-12,17-18H,13-16,19H2;3-8,13-15,17H,1-2,9-12,16H2;3-6,11-12,14-16H,1-2,7-10,13H2;1-8,14-15H,9-12,16H2.

What are the key properties of [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone?

[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 1896.94 g/mol, XLogP of 18.17, 19 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 157439796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).