(1R)-2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[(2R)-2-hydroxycyclohexyl]methylamino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylimino]cyclohexan-1-ol

C43H52Cl2N4O6 — CID 142459989

About (1R)-2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[(2R)-2-hydroxycyclohexyl]methylamino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylimino]cyclohexan-1-ol

(1R)-2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[(2R)-2-hydroxycyclohexyl]methylamino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylimino]cyclohexan-1-ol (PubChem CID 142459989) has the molecular formula C43H52Cl2N4O6 and a molecular weight of 791.82 g/mol. Its IUPAC name is (1R)-2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[(2R)-2-hydroxycyclohexyl]methylamino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylimino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: (1R)-2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[(2R)-2-hydroxycyclohexyl]methylamino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylimino]cyclohexan-1-ol
• PubChem CID: 142459989
• Molecular Formula: C43H52Cl2N4O6
• Molecular Weight: 791.82 g/mol
• Exact Mass: 790.33
• IUPAC Name: (1R)-2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[(2R)-2-hydroxycyclohexyl]methylamino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylimino]cyclohexan-1-ol
• SMILES: COc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(CNCC5CCCC[C@H]5O)cc4Cl)c3C)c2C)c(Cl)cc1C/N=C1/CCCC[C@H]1O
• InChI: InChI=1S/C43H52Cl2N4O6/c1-26-29(24-54-42-35(44)19-31(40(48-42)52-3)22-46-21-28-11-5-7-17-38(28)50)12-9-14-33(26)34-15-10-13-30(27(34)2)25-55-43-36(45)20-32(41(49-43)53-4)23-47-37-16-6-8-18-39(37)51/h9-10,12-15,19-20,28,38-39,46,50-51H,5-8,11,16-18,21-25H2,1-4H3/b47-37-/t28?,38-,39-/m1/s1
• InChIKey: QDIBKORUDOJRTD-BHKTZGNFSA-N
• XLogP: 8.76
• TPSA: 127.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.82
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[(2R)-2-hydroxycyclohexyl]methylamino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylimino]cyclohexan-1-ol?

The IUPAC name of (1R)-2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[(2R)-2-hydroxycyclohexyl]methylamino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylimino]cyclohexan-1-ol (CID 142459989) is (1R)-2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[(2R)-2-hydroxycyclohexyl]methylamino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylimino]cyclohexan-1-ol.

What is the SMILES notation for (1R)-2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[(2R)-2-hydroxycyclohexyl]methylamino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylimino]cyclohexan-1-ol?

The canonical SMILES for (1R)-2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[(2R)-2-hydroxycyclohexyl]methylamino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylimino]cyclohexan-1-ol is COc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(CNCC5CCCC[C@H]5O)cc4Cl)c3C)c2C)c(Cl)cc1C/N=C1/CCCC[C@H]1O.

What is the InChIKey of (1R)-2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[(2R)-2-hydroxycyclohexyl]methylamino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylimino]cyclohexan-1-ol?

The InChIKey is QDIBKORUDOJRTD-BHKTZGNFSA-N. The full InChI is InChI=1S/C43H52Cl2N4O6/c1-26-29(24-54-42-35(44)19-31(40(48-42)52-3)22-46-21-28-11-5-7-17-38(28)50)12-9-14-33(26)34-15-10-13-30(27(34)2)25-55-43-36(45)20-32(41(49-43)53-4)23-47-37-16-6-8-18-39(37)51/h9-10,12-15,19-20,28,38-39,46,50-51H,5-8,11,16-18,21-25H2,1-4H3/b47-37-/t28?,38-,39-/m1/s1.

What are the key properties of (1R)-2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[(2R)-2-hydroxycyclohexyl]methylamino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylimino]cyclohexan-1-ol?

(1R)-2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[(2R)-2-hydroxycyclohexyl]methylamino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylimino]cyclohexan-1-ol has a molecular weight of 791.82 g/mol, XLogP of 8.76, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[(2R)-2-hydroxycyclohexyl]methylamino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylimino]cyclohexan-1-ol is sourced from PubChem (CID 142459989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).