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

C14H22Cl2N4O3 — CID 154893587

IUPAC8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;dihydrochloride
SMILESCl.Cl.O=C1OCC2(CCN(Cc3cc4n(n3)CCNC4)CC2)O1
InChIInChI=1S/C14H20N4O3.2ClH/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;2*1H
InChIKeyDOUGSIDLROMFRJ-UHFFFAOYSA-N
MW365.26 g/mol
LogP1.33
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;dihydrochloride

8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;dihydrochloride (PubChem CID 154893587) has the molecular formula C14H22Cl2N4O3 and a molecular weight of 365.26 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;dihydrochloride.

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;dihydrochloride
PubChem CID154893587
Molecular FormulaC14H22Cl2N4O3
Molecular Weight365.26 g/mol
Exact Mass364.11
IUPAC Name8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;dihydrochloride
SMILESCl.Cl.O=C1OCC2(CCN(Cc3cc4n(n3)CCNC4)CC2)O1
InChIInChI=1S/C14H20N4O3.2ClH/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;2*1H
InChIKeyDOUGSIDLROMFRJ-UHFFFAOYSA-N
XLogP1.33
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 51.33
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;dihydrochloride?
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;dihydrochloride (CID 154893587) is 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;dihydrochloride.
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;dihydrochloride?
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;dihydrochloride is Cl.Cl.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;dihydrochloride?
The InChIKey is DOUGSIDLROMFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3.2ClH/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;2*1H.
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;dihydrochloride?
8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;dihydrochloride has a molecular weight of 365.26 g/mol, XLogP of 1.33, 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;dihydrochloride is sourced from PubChem (CID 154893587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).