[1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol

C45H60N4O5 — CID 159267558

About [1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol

[1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol (PubChem CID 159267558) has the molecular formula C45H60N4O5 and a molecular weight of 737.00 g/mol. Its IUPAC name is [1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol.

Molecular Properties

• Compound Name: [1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol
• PubChem CID: 159267558
• Molecular Formula: C45H60N4O5
• Molecular Weight: 737.00 g/mol
• Exact Mass: 736.46
• IUPAC Name: [1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol
• SMILES: CCC1(NCc2ccc(OCc3cccc(-c4cccc(COc5ccc(CNC6(CO)CCCCC6)c(OC)n5)c4C)c3C)nc2OC)CCCCC1
• InChI: InChI=1S/C45H60N4O5/c1-6-44(23-9-7-10-24-44)46-27-34-19-21-40(48-42(34)51-4)53-29-36-15-13-17-38(32(36)2)39-18-14-16-37(33(39)3)30-54-41-22-20-35(43(49-41)52-5)28-47-45(31-50)25-11-8-12-26-45/h13-22,46-47,50H,6-12,23-31H2,1-5H3
• InChIKey: DAPPCPPOODRLAN-UHFFFAOYSA-N
• XLogP: 8.92
• TPSA: 106.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.00
LogP ≤ 5	8.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol?

The IUPAC name of [1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol (CID 159267558) is [1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol.

What is the SMILES notation for [1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol?

The canonical SMILES for [1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol is CCC1(NCc2ccc(OCc3cccc(-c4cccc(COc5ccc(CNC6(CO)CCCCC6)c(OC)n5)c4C)c3C)nc2OC)CCCCC1.

What is the InChIKey of [1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol?

The InChIKey is DAPPCPPOODRLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H60N4O5/c1-6-44(23-9-7-10-24-44)46-27-34-19-21-40(48-42(34)51-4)53-29-36-15-13-17-38(32(36)2)39-18-14-16-37(33(39)3)30-54-41-22-20-35(43(49-41)52-5)28-47-45(31-50)25-11-8-12-26-45/h13-22,46-47,50H,6-12,23-31H2,1-5H3.

What are the key properties of [1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol?

[1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol has a molecular weight of 737.00 g/mol, XLogP of 8.92, 17 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol is sourced from PubChem (CID 159267558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).