1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-pyrazin-2-yl-5-pyridin-4-ylpyrazol-3-yl)methanone

C20H20N6O3 — CID 118215142

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-pyrazin-2-yl-5-pyridin-4-ylpyrazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)n(-c2cnccn2)n1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H20N6O3/c27-19(25-9-3-20(4-10-25)28-11-12-29-20)16-13-17(15-1-5-21-6-2-15)26(24-16)18-14-22-7-8-23-18/h1-2,5-8,13-14H,3-4,9-12H2
InChIKeyZNGMIELKSOOUMO-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.70
Rot. Bonds3

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-pyrazin-2-yl-5-pyridin-4-ylpyrazol-3-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-pyrazin-2-yl-5-pyridin-4-ylpyrazol-3-yl)methanone (PubChem CID 118215142) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-pyrazin-2-yl-5-pyridin-4-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-pyrazin-2-yl-5-pyridin-4-ylpyrazol-3-yl)methanone
PubChem CID118215142
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-pyrazin-2-yl-5-pyridin-4-ylpyrazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)n(-c2cnccn2)n1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H20N6O3/c27-19(25-9-3-20(4-10-25)28-11-12-29-20)16-13-17(15-1-5-21-6-2-15)26(24-16)18-14-22-7-8-23-18/h1-2,5-8,13-14H,3-4,9-12H2
InChIKeyZNGMIELKSOOUMO-UHFFFAOYSA-N
XLogP1.70
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-pyrazin-2-yl-5-pyridin-4-ylpyrazol-3-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-pyrazin-2-yl-5-pyridin-4-ylpyrazol-3-yl)methanone (CID 118215142) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-pyrazin-2-yl-5-pyridin-4-ylpyrazol-3-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-pyrazin-2-yl-5-pyridin-4-ylpyrazol-3-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-pyrazin-2-yl-5-pyridin-4-ylpyrazol-3-yl)methanone is O=C(c1cc(-c2ccncc2)n(-c2cnccn2)n1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-pyrazin-2-yl-5-pyridin-4-ylpyrazol-3-yl)methanone?
The InChIKey is ZNGMIELKSOOUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c27-19(25-9-3-20(4-10-25)28-11-12-29-20)16-13-17(15-1-5-21-6-2-15)26(24-16)18-14-22-7-8-23-18/h1-2,5-8,13-14H,3-4,9-12H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-pyrazin-2-yl-5-pyridin-4-ylpyrazol-3-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-pyrazin-2-yl-5-pyridin-4-ylpyrazol-3-yl)methanone has a molecular weight of 392.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-pyrazin-2-yl-5-pyridin-4-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 118215142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).