lithium;(3R)-4-[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;(3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(6-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;6-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one;4-methylbenzenesulfonic acid;palladium;tributyl-(6-methyl-2-pyridinyl)stannane;tetrakis(triphenylphosphane);chloride

C195H204Cl5LiN18O7P4PdSSn — CID 158829471

About lithium;(3R)-4-[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;(3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(6-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;6-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one;4-methylbenzenesulfonic acid;palladium;tributyl-(6-methyl-2-pyridinyl)stannane;tetrakis(triphenylphosphane);chloride

lithium;(3R)-4-[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;(3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(6-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;6-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one;4-methylbenzenesulfonic acid;palladium;tributyl-(6-methyl-2-pyridinyl)stannane;tetrakis(triphenylphosphane);chloride (PubChem CID 158829471) has the molecular formula C195H204Cl5LiN18O7P4PdSSn and a molecular weight of 3477.20 g/mol. Its IUPAC name is lithium;(3R)-4-[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;(3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(6-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;6-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one;4-methylbenzenesulfonic acid;palladium;tributyl-(6-methyl-2-pyridinyl)stannane;tetrakis(triphenylphosphane);chloride.

Molecular Properties

• Compound Name: lithium;(3R)-4-[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;(3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(6-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;6-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one;4-methylbenzenesulfonic acid;palladium;tributyl-(6-methyl-2-pyridinyl)stannane;tetrakis(triphenylphosphane);chloride
• PubChem CID: 158829471
• Molecular Formula: C195H204Cl5LiN18O7P4PdSSn
• Molecular Weight: 3477.20 g/mol
• Exact Mass: 3473.15
• IUPAC Name: lithium;(3R)-4-[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;(3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(6-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;6-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one;4-methylbenzenesulfonic acid;palladium;tributyl-(6-methyl-2-pyridinyl)stannane;tetrakis(triphenylphosphane);chloride
• SMILES: CC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4cccc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(Cl)nc(-c4cncc(Cl)c4)c32)CC1.CCCC[Sn](CCCC)(CCCC)c1cccc(C)n1.Cc1ccc(S(=O)(=O)O)cc1.Cc1cccc(-c2cc3nc(N4CCOC[C@H]4c4ccccc4)n(CC4CCC(C)CC4)c3c(-c3cncc(Cl)c3)n2)n1.[Cl-].[Li+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C35H37ClN6O.C34H35ClN6O2.C29H31Cl2N5O.4C18H15P.C7H8O3S.C6H6N.3C4H9.ClH.Li.Pd.Sn/c1-23-11-13-25(14-12-23)21-42-34-31(40-35(42)41-15-16-43-22-32(41)26-8-4-3-5-9-26)18-30(29-10-6-7-24(2)38-29)39-33(34)27-17-28(36)20-37-19-27;1-22-10-12-23(13-11-22)20-41-33-29(39-34(41)40-14-15-43-21-30(40)24-6-3-2-4-7-24)17-28(27-8-5-9-31(42)37-27)38-32(33)25-16-26(35)19-36-18-25;1-19-7-9-20(10-8-19)17-36-28-24(14-26(31)34-27(28)22-13-23(30)16-32-15-22)33-29(36)35-11-12-37-18-25(35)21-5-3-2-4-6-21;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-2-4-7(5-3-6)11(8,9)10;1-6-4-2-3-5-7-6;3*1-3-4-2;;;;/h3-10,17-20,23,25,32H,11-16,21-22H2,1-2H3;2-9,16-19,22-23,30H,10-15,20-21H2,1H3,(H,37,42);2-6,13-16,19-20,25H,7-12,17-18H2,1H3;4*1-15H;2-5H,1H3,(H,8,9,10);2-4H,1H3;3*1,3-4H2,2H3;1H;;;/q;;;;;;;;;;;;;+1;;/p-1/t23?,25?,32-;22?,23?,30-;19?,20?,25-;;;;;;;;;;;;;/m000............./s1
• InChIKey: HTXMHMNPWNWEKP-HDOJLIFFSA-M
• XLogP: 36.50
• TPSA: 281.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 40
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3477.20
LogP ≤ 5	36.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;(3R)-4-[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;(3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(6-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;6-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one;4-methylbenzenesulfonic acid;palladium;tributyl-(6-methyl-2-pyridinyl)stannane;tetrakis(triphenylphosphane);chloride?

The IUPAC name of lithium;(3R)-4-[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;(3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(6-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;6-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one;4-methylbenzenesulfonic acid;palladium;tributyl-(6-methyl-2-pyridinyl)stannane;tetrakis(triphenylphosphane);chloride (CID 158829471) is lithium;(3R)-4-[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;(3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(6-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;6-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one;4-methylbenzenesulfonic acid;palladium;tributyl-(6-methyl-2-pyridinyl)stannane;tetrakis(triphenylphosphane);chloride.

What is the SMILES notation for lithium;(3R)-4-[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;(3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(6-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;6-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one;4-methylbenzenesulfonic acid;palladium;tributyl-(6-methyl-2-pyridinyl)stannane;tetrakis(triphenylphosphane);chloride?

The canonical SMILES for lithium;(3R)-4-[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;(3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(6-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;6-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one;4-methylbenzenesulfonic acid;palladium;tributyl-(6-methyl-2-pyridinyl)stannane;tetrakis(triphenylphosphane);chloride is CC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4cccc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(Cl)nc(-c4cncc(Cl)c4)c32)CC1.CCCC[Sn](CCCC)(CCCC)c1cccc(C)n1.Cc1ccc(S(=O)(=O)O)cc1.Cc1cccc(-c2cc3nc(N4CCOC[C@H]4c4ccccc4)n(CC4CCC(C)CC4)c3c(-c3cncc(Cl)c3)n2)n1.[Cl-].[Li+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of lithium;(3R)-4-[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;(3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(6-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;6-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one;4-methylbenzenesulfonic acid;palladium;tributyl-(6-methyl-2-pyridinyl)stannane;tetrakis(triphenylphosphane);chloride?

The InChIKey is HTXMHMNPWNWEKP-HDOJLIFFSA-M. The full InChI is InChI=1S/C35H37ClN6O.C34H35ClN6O2.C29H31Cl2N5O.4C18H15P.C7H8O3S.C6H6N.3C4H9.ClH.Li.Pd.Sn/c1-23-11-13-25(14-12-23)21-42-34-31(40-35(42)41-15-16-43-22-32(41)26-8-4-3-5-9-26)18-30(29-10-6-7-24(2)38-29)39-33(34)27-17-28(36)20-37-19-27;1-22-10-12-23(13-11-22)20-41-33-29(39-34(41)40-14-15-43-21-30(40)24-6-3-2-4-7-24)17-28(27-8-5-9-31(42)37-27)38-32(33)25-16-26(35)19-36-18-25;1-19-7-9-20(10-8-19)17-36-28-24(14-26(31)34-27(28)22-13-23(30)16-32-15-22)33-29(36)35-11-12-37-18-25(35)21-5-3-2-4-6-21;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-2-4-7(5-3-6)11(8,9)10;1-6-4-2-3-5-7-6;3*1-3-4-2;;;;/h3-10,17-20,23,25,32H,11-16,21-22H2,1-2H3;2-9,16-19,22-23,30H,10-15,20-21H2,1H3,(H,37,42);2-6,13-16,19-20,25H,7-12,17-18H2,1H3;4*1-15H;2-5H,1H3,(H,8,9,10);2-4H,1H3;3*1,3-4H2,2H3;1H;;;/q;;;;;;;;;;;;;+1;;/p-1/t23?,25?,32-;22?,23?,30-;19?,20?,25-;;;;;;;;;;;;;/m000............./s1.

What are the key properties of lithium;(3R)-4-[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;(3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(6-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;6-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one;4-methylbenzenesulfonic acid;palladium;tributyl-(6-methyl-2-pyridinyl)stannane;tetrakis(triphenylphosphane);chloride?

lithium;(3R)-4-[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;(3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(6-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;6-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one;4-methylbenzenesulfonic acid;palladium;tributyl-(6-methyl-2-pyridinyl)stannane;tetrakis(triphenylphosphane);chloride has a molecular weight of 3477.20 g/mol, XLogP of 36.50, 40 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(3R)-4-[6-chloro-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;(3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(6-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine;6-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one;4-methylbenzenesulfonic acid;palladium;tributyl-(6-methyl-2-pyridinyl)stannane;tetrakis(triphenylphosphane);chloride is sourced from PubChem (CID 158829471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).