4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane

C19H22ClN3O3 — CID 133378215

IUPAC4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESClc1cccc(COc2cncc(N3CCOC4(CCOCC4)C3)n2)c1
InChIInChI=1S/C19H22ClN3O3/c20-16-3-1-2-15(10-16)13-25-18-12-21-11-17(22-18)23-6-9-26-19(14-23)4-7-24-8-5-19/h1-3,10-12H,4-9,13-14H2
InChIKeyRIGVSMNYWFUPTC-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.09
Rot. Bonds4

About 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane

4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane (PubChem CID 133378215) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane
PubChem CID133378215
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESClc1cccc(COc2cncc(N3CCOC4(CCOCC4)C3)n2)c1
InChIInChI=1S/C19H22ClN3O3/c20-16-3-1-2-15(10-16)13-25-18-12-21-11-17(22-18)23-6-9-26-19(14-23)4-7-24-8-5-19/h1-3,10-12H,4-9,13-14H2
InChIKeyRIGVSMNYWFUPTC-UHFFFAOYSA-N
XLogP3.09
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane?
The IUPAC name of 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane (CID 133378215) is 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane is Clc1cccc(COc2cncc(N3CCOC4(CCOCC4)C3)n2)c1.
What is the InChIKey of 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane?
The InChIKey is RIGVSMNYWFUPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c20-16-3-1-2-15(10-16)13-25-18-12-21-11-17(22-18)23-6-9-26-19(14-23)4-7-24-8-5-19/h1-3,10-12H,4-9,13-14H2.
What are the key properties of 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane?
4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane has a molecular weight of 375.86 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 133378215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).