5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine

C32H34ClFN6O4 — CID 139429398

IUPAC5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC(OC)C5)c(OC)n4)c3Cl)c2F)cnc1CN1CC(OC)C1
InChIInChI=1S/C32H34ClFN6O4/c1-41-19-13-39(14-19)17-27-31(43-3)37-25(11-35-27)23-9-5-7-21(29(23)33)22-8-6-10-24(30(22)34)26-12-36-28(32(38-26)44-4)18-40-15-20(16-40)42-2/h5-12,19-20H,13-18H2,1-4H3
InChIKeyGKKHKPOUSDLYLJ-UHFFFAOYSA-N
MW621.11 g/mol
LogP4.74
Rot. Bonds11

About 5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine

5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine (PubChem CID 139429398) has the molecular formula C32H34ClFN6O4 and a molecular weight of 621.11 g/mol. Its IUPAC name is 5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine.

Molecular Properties

Compound Name5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine
PubChem CID139429398
Molecular FormulaC32H34ClFN6O4
Molecular Weight621.11 g/mol
Exact Mass620.23
IUPAC Name5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC(OC)C5)c(OC)n4)c3Cl)c2F)cnc1CN1CC(OC)C1
InChIInChI=1S/C32H34ClFN6O4/c1-41-19-13-39(14-19)17-27-31(43-3)37-25(11-35-27)23-9-5-7-21(29(23)33)22-8-6-10-24(30(22)34)26-12-36-28(32(38-26)44-4)18-40-15-20(16-40)42-2/h5-12,19-20H,13-18H2,1-4H3
InChIKeyGKKHKPOUSDLYLJ-UHFFFAOYSA-N
XLogP4.74
TPSA94.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.11
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine?
The IUPAC name of 5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine (CID 139429398) is 5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine.
What is the SMILES notation for 5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine?
The canonical SMILES for 5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine is COc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC(OC)C5)c(OC)n4)c3Cl)c2F)cnc1CN1CC(OC)C1.
What is the InChIKey of 5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine?
The InChIKey is GKKHKPOUSDLYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClFN6O4/c1-41-19-13-39(14-19)17-27-31(43-3)37-25(11-35-27)23-9-5-7-21(29(23)33)22-8-6-10-24(30(22)34)26-12-36-28(32(38-26)44-4)18-40-15-20(16-40)42-2/h5-12,19-20H,13-18H2,1-4H3.
What are the key properties of 5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine?
5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine has a molecular weight of 621.11 g/mol, XLogP of 4.74, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-3-[2-fluoro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine is sourced from PubChem (CID 139429398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).