8-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C23H21F2N3O2 — CID 71199812

IUPAC8-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(-c2ncc(N3CCC4(CC3)OCCO4)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21F2N3O2/c24-18-5-1-16(2-6-18)21-22(17-3-7-19(25)8-4-17)27-20(15-26-21)28-11-9-23(10-12-28)29-13-14-30-23/h1-8,15H,9-14H2
InChIKeyDMZLHBASJVXNMR-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.43
Rot. Bonds3

About 8-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 71199812) has the molecular formula C23H21F2N3O2 and a molecular weight of 409.44 g/mol. Its IUPAC name is 8-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID71199812
Molecular FormulaC23H21F2N3O2
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name8-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(-c2ncc(N3CCC4(CC3)OCCO4)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21F2N3O2/c24-18-5-1-16(2-6-18)21-22(17-3-7-19(25)8-4-17)27-20(15-26-21)28-11-9-23(10-12-28)29-13-14-30-23/h1-8,15H,9-14H2
InChIKeyDMZLHBASJVXNMR-UHFFFAOYSA-N
XLogP4.43
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 71199812) is 8-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane is Fc1ccc(-c2ncc(N3CCC4(CC3)OCCO4)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 8-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is DMZLHBASJVXNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O2/c24-18-5-1-16(2-6-18)21-22(17-3-7-19(25)8-4-17)27-20(15-26-21)28-11-9-23(10-12-28)29-13-14-30-23/h1-8,15H,9-14H2.
What are the key properties of 8-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 409.44 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 71199812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).