[(2R,5R)-5-[(3-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;3-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyrazin-8-amine;3-chloro-N-[(3R,6R)-6-methylpiperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;3,8-dichloroimidazo[1,2-a]pyrazine;methane;4-methylcyclohexan-1-amine;2-pyrimidin-2-ylbenzoic acid

C73H85Cl5N22O3 — CID 159053029

About [(2R,5R)-5-[(3-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;3-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyrazin-8-amine;3-chloro-N-[(3R,6R)-6-methylpiperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;3,8-dichloroimidazo[1,2-a]pyrazine;methane;4-methylcyclohexan-1-amine;2-pyrimidin-2-ylbenzoic acid

[(2R,5R)-5-[(3-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;3-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyrazin-8-amine;3-chloro-N-[(3R,6R)-6-methylpiperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;3,8-dichloroimidazo[1,2-a]pyrazine;methane;4-methylcyclohexan-1-amine;2-pyrimidin-2-ylbenzoic acid (PubChem CID 159053029) has the molecular formula C73H85Cl5N22O3 and a molecular weight of 1495.90 g/mol. Its IUPAC name is [(2R,5R)-5-[(3-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;3-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyrazin-8-amine;3-chloro-N-[(3R,6R)-6-methylpiperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;3,8-dichloroimidazo[1,2-a]pyrazine;methane;4-methylcyclohexan-1-amine;2-pyrimidin-2-ylbenzoic acid.

Molecular Properties

• Compound Name: [(2R,5R)-5-[(3-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;3-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyrazin-8-amine;3-chloro-N-[(3R,6R)-6-methylpiperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;3,8-dichloroimidazo[1,2-a]pyrazine;methane;4-methylcyclohexan-1-amine;2-pyrimidin-2-ylbenzoic acid
• PubChem CID: 159053029
• Molecular Formula: C73H85Cl5N22O3
• Molecular Weight: 1495.90 g/mol
• Exact Mass: 1492.56
• IUPAC Name: [(2R,5R)-5-[(3-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;3-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyrazin-8-amine;3-chloro-N-[(3R,6R)-6-methylpiperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;3,8-dichloroimidazo[1,2-a]pyrazine;methane;4-methylcyclohexan-1-amine;2-pyrimidin-2-ylbenzoic acid
• SMILES: C.CC1CCC(N)CC1.CC1CCC(Nc2nccn3c(Cl)cnc23)CC1.C[C@@H]1CC[C@@H](Nc2nccn3c(Cl)cnc23)CN1.C[C@@H]1CC[C@@H](Nc2nccn3c(Cl)cnc23)CN1C(=O)c1ccccc1-c1ncccn1.Clc1nccn2c(Cl)cnc12.O=C(O)c1ccccc1-c1ncccn1
• InChI: InChI=1S/C23H22ClN7O.C13H17ClN4.C12H16ClN5.C11H8N2O2.C7H15N.C6H3Cl2N3.CH4/c1-15-7-8-16(29-21-22-28-13-19(24)30(22)12-11-27-21)14-31(15)23(32)18-6-3-2-5-17(18)20-25-9-4-10-26-20;1-9-2-4-10(5-3-9)17-12-13-16-8-11(14)18(13)7-6-15-12;1-8-2-3-9(6-15-8)17-11-12-16-7-10(13)18(12)5-4-14-11;14-11(15)9-5-2-1-4-8(9)10-12-6-3-7-13-10;1-6-2-4-7(8)5-3-6;7-4-3-10-6-5(8)9-1-2-11(4)6;/h2-6,9-13,15-16H,7-8,14H2,1H3,(H,27,29);6-10H,2-5H2,1H3,(H,15,17);4-5,7-9,15H,2-3,6H2,1H3,(H,14,17);1-7H,(H,14,15);6-7H,2-5,8H2,1H3;1-3H;1H4/t15-,16-;;8-,9-;;;;/m1.1..../s1
• InChIKey: JXMZFZUDGJUVEV-OZJLYDAQSA-N
• XLogP: 15.29
• TPSA: 304.07 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1495.90
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[(3-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;3-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyrazin-8-amine;3-chloro-N-[(3R,6R)-6-methylpiperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;3,8-dichloroimidazo[1,2-a]pyrazine;methane;4-methylcyclohexan-1-amine;2-pyrimidin-2-ylbenzoic acid?

The IUPAC name of [(2R,5R)-5-[(3-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;3-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyrazin-8-amine;3-chloro-N-[(3R,6R)-6-methylpiperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;3,8-dichloroimidazo[1,2-a]pyrazine;methane;4-methylcyclohexan-1-amine;2-pyrimidin-2-ylbenzoic acid (CID 159053029) is [(2R,5R)-5-[(3-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;3-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyrazin-8-amine;3-chloro-N-[(3R,6R)-6-methylpiperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;3,8-dichloroimidazo[1,2-a]pyrazine;methane;4-methylcyclohexan-1-amine;2-pyrimidin-2-ylbenzoic acid.

What is the SMILES notation for [(2R,5R)-5-[(3-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;3-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyrazin-8-amine;3-chloro-N-[(3R,6R)-6-methylpiperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;3,8-dichloroimidazo[1,2-a]pyrazine;methane;4-methylcyclohexan-1-amine;2-pyrimidin-2-ylbenzoic acid?

The canonical SMILES for [(2R,5R)-5-[(3-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;3-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyrazin-8-amine;3-chloro-N-[(3R,6R)-6-methylpiperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;3,8-dichloroimidazo[1,2-a]pyrazine;methane;4-methylcyclohexan-1-amine;2-pyrimidin-2-ylbenzoic acid is C.CC1CCC(N)CC1.CC1CCC(Nc2nccn3c(Cl)cnc23)CC1.C[C@@H]1CC[C@@H](Nc2nccn3c(Cl)cnc23)CN1.C[C@@H]1CC[C@@H](Nc2nccn3c(Cl)cnc23)CN1C(=O)c1ccccc1-c1ncccn1.Clc1nccn2c(Cl)cnc12.O=C(O)c1ccccc1-c1ncccn1.

What is the InChIKey of [(2R,5R)-5-[(3-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;3-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyrazin-8-amine;3-chloro-N-[(3R,6R)-6-methylpiperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;3,8-dichloroimidazo[1,2-a]pyrazine;methane;4-methylcyclohexan-1-amine;2-pyrimidin-2-ylbenzoic acid?

The InChIKey is JXMZFZUDGJUVEV-OZJLYDAQSA-N. The full InChI is InChI=1S/C23H22ClN7O.C13H17ClN4.C12H16ClN5.C11H8N2O2.C7H15N.C6H3Cl2N3.CH4/c1-15-7-8-16(29-21-22-28-13-19(24)30(22)12-11-27-21)14-31(15)23(32)18-6-3-2-5-17(18)20-25-9-4-10-26-20;1-9-2-4-10(5-3-9)17-12-13-16-8-11(14)18(13)7-6-15-12;1-8-2-3-9(6-15-8)17-11-12-16-7-10(13)18(12)5-4-14-11;14-11(15)9-5-2-1-4-8(9)10-12-6-3-7-13-10;1-6-2-4-7(8)5-3-6;7-4-3-10-6-5(8)9-1-2-11(4)6;/h2-6,9-13,15-16H,7-8,14H2,1H3,(H,27,29);6-10H,2-5H2,1H3,(H,15,17);4-5,7-9,15H,2-3,6H2,1H3,(H,14,17);1-7H,(H,14,15);6-7H,2-5,8H2,1H3;1-3H;1H4/t15-,16-;;8-,9-;;;;/m1.1..../s1.

What are the key properties of [(2R,5R)-5-[(3-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;3-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyrazin-8-amine;3-chloro-N-[(3R,6R)-6-methylpiperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;3,8-dichloroimidazo[1,2-a]pyrazine;methane;4-methylcyclohexan-1-amine;2-pyrimidin-2-ylbenzoic acid?

[(2R,5R)-5-[(3-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;3-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyrazin-8-amine;3-chloro-N-[(3R,6R)-6-methylpiperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;3,8-dichloroimidazo[1,2-a]pyrazine;methane;4-methylcyclohexan-1-amine;2-pyrimidin-2-ylbenzoic acid has a molecular weight of 1495.90 g/mol, XLogP of 15.29, 10 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,5R)-5-[(3-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;3-chloro-N-(4-methylcyclohexyl)imidazo[1,2-a]pyrazin-8-amine;3-chloro-N-[(3R,6R)-6-methylpiperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;3,8-dichloroimidazo[1,2-a]pyrazine;methane;4-methylcyclohexan-1-amine;2-pyrimidin-2-ylbenzoic acid is sourced from PubChem (CID 159053029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).