8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C14H20N4O3 — CID 56916400

IUPAC8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1OCC2(CCN(Cc3cc4n(n3)CCNC4)CC2)O1
InChIInChI=1S/C14H20N4O3/c19-13-20-10-14(21-13)1-4-17(5-2-14)9-11-7-12-8-15-3-6-18(12)16-11/h7,15H,1-6,8-10H2
InChIKeyZERFPVQHGQHVBH-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.49
Rot. Bonds2

About 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 56916400) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID56916400
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1OCC2(CCN(Cc3cc4n(n3)CCNC4)CC2)O1
InChIInChI=1S/C14H20N4O3/c19-13-20-10-14(21-13)1-4-17(5-2-14)9-11-7-12-8-15-3-6-18(12)16-11/h7,15H,1-6,8-10H2
InChIKeyZERFPVQHGQHVBH-UHFFFAOYSA-N
XLogP0.49
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 56916400) is 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one is O=C1OCC2(CCN(Cc3cc4n(n3)CCNC4)CC2)O1.
What is the InChIKey of 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is ZERFPVQHGQHVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-13-20-10-14(21-13)1-4-17(5-2-14)9-11-7-12-8-15-3-6-18(12)16-11/h7,15H,1-6,8-10H2.
What are the key properties of 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 292.34 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 56916400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).