8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C21H19Cl2N5O2 — CID 69173570

IUPAC8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESClc1cnccc1-c1ncc(N2CCC3(CC2)OCCO3)nc1-c1ccncc1Cl
InChIInChI=1S/C21H19Cl2N5O2/c22-16-11-24-5-1-14(16)19-20(15-2-6-25-12-17(15)23)27-18(13-26-19)28-7-3-21(4-8-28)29-9-10-30-21/h1-2,5-6,11-13H,3-4,7-10H2
InChIKeyATAKHAPCVUVEJS-UHFFFAOYSA-N
MW444.32 g/mol
LogP4.25
Rot. Bonds3

About 8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 69173570) has the molecular formula C21H19Cl2N5O2 and a molecular weight of 444.32 g/mol. Its IUPAC name is 8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID69173570
Molecular FormulaC21H19Cl2N5O2
Molecular Weight444.32 g/mol
Exact Mass443.09
IUPAC Name8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESClc1cnccc1-c1ncc(N2CCC3(CC2)OCCO3)nc1-c1ccncc1Cl
InChIInChI=1S/C21H19Cl2N5O2/c22-16-11-24-5-1-14(16)19-20(15-2-6-25-12-17(15)23)27-18(13-26-19)28-7-3-21(4-8-28)29-9-10-30-21/h1-2,5-6,11-13H,3-4,7-10H2
InChIKeyATAKHAPCVUVEJS-UHFFFAOYSA-N
XLogP4.25
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 69173570) is 8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane is Clc1cnccc1-c1ncc(N2CCC3(CC2)OCCO3)nc1-c1ccncc1Cl.
What is the InChIKey of 8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is ATAKHAPCVUVEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O2/c22-16-11-24-5-1-14(16)19-20(15-2-6-25-12-17(15)23)27-18(13-26-19)28-7-3-21(4-8-28)29-9-10-30-21/h1-2,5-6,11-13H,3-4,7-10H2.
What are the key properties of 8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 444.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 69173570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).