2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol

C30H30Cl2F2N4O4 — CID 146207096

About 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol

2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol (PubChem CID 146207096) has the molecular formula C30H30Cl2F2N4O4 and a molecular weight of 619.50 g/mol. Its IUPAC name is 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol.

Molecular Properties

• Compound Name: 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
• PubChem CID: 146207096
• Molecular Formula: C30H30Cl2F2N4O4
• Molecular Weight: 619.50 g/mol
• Exact Mass: 618.16
• IUPAC Name: 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
• SMILES: COc1nc(-c2ccc(F)c(-c3c(F)ccc(-c4ccc(CNCCO)c(OC)n4)c3Cl)c2Cl)ccc1CNCCO
• InChI: InChI=1S/C30H30Cl2F2N4O4/c1-41-29-17(15-35-11-13-39)3-9-23(37-29)19-5-7-21(33)25(27(19)31)26-22(34)8-6-20(28(26)32)24-10-4-18(16-36-12-14-40)30(38-24)42-2/h3-10,35-36,39-40H,11-16H2,1-2H3
• InChIKey: PISQQPUDFQKLIY-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 108.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.50
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?

The IUPAC name of 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol (CID 146207096) is 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol.

What is the SMILES notation for 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?

The canonical SMILES for 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol is COc1nc(-c2ccc(F)c(-c3c(F)ccc(-c4ccc(CNCCO)c(OC)n4)c3Cl)c2Cl)ccc1CNCCO.

What is the InChIKey of 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?

The InChIKey is PISQQPUDFQKLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2F2N4O4/c1-41-29-17(15-35-11-13-39)3-9-23(37-29)19-5-7-21(33)25(27(19)31)26-22(34)8-6-20(28(26)32)24-10-4-18(16-36-12-14-40)30(38-24)42-2/h3-10,35-36,39-40H,11-16H2,1-2H3.

What are the key properties of 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?

2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol has a molecular weight of 619.50 g/mol, XLogP of 5.24, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol is sourced from PubChem (CID 146207096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).