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

C33H35Cl2N5O4 — CID 139416273

IUPAC5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC(OC)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC(OC)C1
InChIInChI=1S/C33H35Cl2N5O4/c1-41-21-15-39(16-21)14-20-11-12-27(37-32(20)43-3)25-9-5-7-23(30(25)34)24-8-6-10-26(31(24)35)28-13-36-29(33(38-28)44-4)19-40-17-22(18-40)42-2/h5-13,21-22H,14-19H2,1-4H3
InChIKeyGSHFAPGYPPIOIG-UHFFFAOYSA-N
MW636.58 g/mol
LogP5.86
Rot. Bonds11

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

5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine (PubChem CID 139416273) has the molecular formula C33H35Cl2N5O4 and a molecular weight of 636.58 g/mol. Its IUPAC name is 5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine.

Molecular Properties

Compound Name5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine
PubChem CID139416273
Molecular FormulaC33H35Cl2N5O4
Molecular Weight636.58 g/mol
Exact Mass635.21
IUPAC Name5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC(OC)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC(OC)C1
InChIInChI=1S/C33H35Cl2N5O4/c1-41-21-15-39(16-21)14-20-11-12-27(37-32(20)43-3)25-9-5-7-23(30(25)34)24-8-6-10-26(31(24)35)28-13-36-29(33(38-28)44-4)19-40-17-22(18-40)42-2/h5-13,21-22H,14-19H2,1-4H3
InChIKeyGSHFAPGYPPIOIG-UHFFFAOYSA-N
XLogP5.86
TPSA82.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.58
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]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-chloro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine?
The IUPAC name of 5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine (CID 139416273) is 5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine.
What is the SMILES notation for 5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine?
The canonical SMILES for 5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine is COc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC(OC)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC(OC)C1.
What is the InChIKey of 5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine?
The InChIKey is GSHFAPGYPPIOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35Cl2N5O4/c1-41-21-15-39(16-21)14-20-11-12-27(37-32(20)43-3)25-9-5-7-23(30(25)34)24-8-6-10-26(31(24)35)28-13-36-29(33(38-28)44-4)19-40-17-22(18-40)42-2/h5-13,21-22H,14-19H2,1-4H3.
What are the key properties of 5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine?
5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine has a molecular weight of 636.58 g/mol, XLogP of 5.86, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine is sourced from PubChem (CID 139416273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).