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

C39H48N4O5 — CID 159267555

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

[1-[[6-[[3-[3-[[5-[[(1-ethylcyclopropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclopropyl]methanol (PubChem CID 159267555) has the molecular formula C39H48N4O5 and a molecular weight of 652.84 g/mol. Its IUPAC name is [1-[[6-[[3-[3-[[5-[[(1-ethylcyclopropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclopropyl]methanol.

Molecular Properties

• Compound Name: [1-[[6-[[3-[3-[[5-[[(1-ethylcyclopropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclopropyl]methanol
• PubChem CID: 159267555
• Molecular Formula: C39H48N4O5
• Molecular Weight: 652.84 g/mol
• Exact Mass: 652.36
• IUPAC Name: [1-[[6-[[3-[3-[[5-[[(1-ethylcyclopropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclopropyl]methanol
• SMILES: CCC1(NCc2ccc(OCc3cccc(-c4cccc(COc5ccc(CNC6(CO)CC6)c(OC)n5)c4C)c3C)nc2OC)CC1
• InChI: InChI=1S/C39H48N4O5/c1-6-38(17-18-38)40-21-28-13-15-34(42-36(28)45-4)47-23-30-9-7-11-32(26(30)2)33-12-8-10-31(27(33)3)24-48-35-16-14-29(37(43-35)46-5)22-41-39(25-44)19-20-39/h7-16,40-41,44H,6,17-25H2,1-5H3
• InChIKey: LMPCEKPDRVWLAL-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 106.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.84
LogP ≤ 5	6.58
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-ethylcyclopropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclopropyl]methanol?

The IUPAC name of [1-[[6-[[3-[3-[[5-[[(1-ethylcyclopropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclopropyl]methanol (CID 159267555) is [1-[[6-[[3-[3-[[5-[[(1-ethylcyclopropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclopropyl]methanol.

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

The canonical SMILES for [1-[[6-[[3-[3-[[5-[[(1-ethylcyclopropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclopropyl]methanol is CCC1(NCc2ccc(OCc3cccc(-c4cccc(COc5ccc(CNC6(CO)CC6)c(OC)n5)c4C)c3C)nc2OC)CC1.

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

The InChIKey is LMPCEKPDRVWLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H48N4O5/c1-6-38(17-18-38)40-21-28-13-15-34(42-36(28)45-4)47-23-30-9-7-11-32(26(30)2)33-12-8-10-31(27(33)3)24-48-35-16-14-29(37(43-35)46-5)22-41-39(25-44)19-20-39/h7-16,40-41,44H,6,17-25H2,1-5H3.

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

[1-[[6-[[3-[3-[[5-[[(1-ethylcyclopropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclopropyl]methanol has a molecular weight of 652.84 g/mol, XLogP of 6.58, 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-ethylcyclopropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclopropyl]methanol is sourced from PubChem (CID 159267555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).