5-[6-chloro-5-(2-chlorophenyl)-1-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]cyclohexa-2,4-dien-1-yl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]-1H-pyrazin-2-ol

C33H39Cl2N5O5 — CID 175385989

About 5-[6-chloro-5-(2-chlorophenyl)-1-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]cyclohexa-2,4-dien-1-yl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]-1H-pyrazin-2-ol

5-[6-chloro-5-(2-chlorophenyl)-1-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]cyclohexa-2,4-dien-1-yl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]-1H-pyrazin-2-ol (PubChem CID 175385989) has the molecular formula C33H39Cl2N5O5 and a molecular weight of 656.61 g/mol. Its IUPAC name is 5-[6-chloro-5-(2-chlorophenyl)-1-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]cyclohexa-2,4-dien-1-yl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]-1H-pyrazin-2-ol.

Molecular Properties

• Compound Name: 5-[6-chloro-5-(2-chlorophenyl)-1-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]cyclohexa-2,4-dien-1-yl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]-1H-pyrazin-2-ol
• PubChem CID: 175385989
• Molecular Formula: C33H39Cl2N5O5
• Molecular Weight: 656.61 g/mol
• Exact Mass: 655.23
• IUPAC Name: 5-[6-chloro-5-(2-chlorophenyl)-1-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]cyclohexa-2,4-dien-1-yl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]-1H-pyrazin-2-ol
• SMILES: COC1=NC(C2(c3ccc(CN4CC(OC)C4)c(OC)n3)C=CC=C(c3ccccc3Cl)C2Cl)=CNC1(O)CN1CC(OC)C1
• InChI: InChI=1S/C33H39Cl2N5O5/c1-42-22-16-39(17-22)15-21-11-12-27(37-30(21)44-3)32(13-7-9-25(29(32)35)24-8-5-6-10-26(24)34)28-14-36-33(41,31(38-28)45-4)20-40-18-23(19-40)43-2/h5-14,22-23,29,36,41H,15-20H2,1-4H3
• InChIKey: IOECZORZYOSCOB-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 100.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	656.61
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-(2-chlorophenyl)-1-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]cyclohexa-2,4-dien-1-yl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]-1H-pyrazin-2-ol?

The IUPAC name of 5-[6-chloro-5-(2-chlorophenyl)-1-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]cyclohexa-2,4-dien-1-yl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]-1H-pyrazin-2-ol (CID 175385989) is 5-[6-chloro-5-(2-chlorophenyl)-1-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]cyclohexa-2,4-dien-1-yl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]-1H-pyrazin-2-ol.

What is the SMILES notation for 5-[6-chloro-5-(2-chlorophenyl)-1-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]cyclohexa-2,4-dien-1-yl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]-1H-pyrazin-2-ol?

The canonical SMILES for 5-[6-chloro-5-(2-chlorophenyl)-1-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]cyclohexa-2,4-dien-1-yl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]-1H-pyrazin-2-ol is COC1=NC(C2(c3ccc(CN4CC(OC)C4)c(OC)n3)C=CC=C(c3ccccc3Cl)C2Cl)=CNC1(O)CN1CC(OC)C1.

What is the InChIKey of 5-[6-chloro-5-(2-chlorophenyl)-1-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]cyclohexa-2,4-dien-1-yl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]-1H-pyrazin-2-ol?

The InChIKey is IOECZORZYOSCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39Cl2N5O5/c1-42-22-16-39(17-22)15-21-11-12-27(37-30(21)44-3)32(13-7-9-25(29(32)35)24-8-5-6-10-26(24)34)28-14-36-33(41,31(38-28)45-4)20-40-18-23(19-40)43-2/h5-14,22-23,29,36,41H,15-20H2,1-4H3.

What are the key properties of 5-[6-chloro-5-(2-chlorophenyl)-1-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]cyclohexa-2,4-dien-1-yl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]-1H-pyrazin-2-ol?

5-[6-chloro-5-(2-chlorophenyl)-1-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]cyclohexa-2,4-dien-1-yl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]-1H-pyrazin-2-ol has a molecular weight of 656.61 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-chloro-5-(2-chlorophenyl)-1-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]cyclohexa-2,4-dien-1-yl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]-1H-pyrazin-2-ol is sourced from PubChem (CID 175385989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).