8-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C21H24N4O2 — CID 53333650

IUPAC8-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1ccc(-c2cc3c(N4CCC5(CC4)OCCO5)nccn3n2)c(C)c1
InChIInChI=1S/C21H24N4O2/c1-15-3-4-17(16(2)13-15)18-14-19-20(22-7-10-25(19)23-18)24-8-5-21(6-9-24)26-11-12-27-21/h3-4,7,10,13-14H,5-6,8-9,11-12H2,1-2H3
InChIKeyNWCHNWBEROGIER-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.36
Rot. Bonds2

About 8-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 53333650) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 8-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID53333650
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name8-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1ccc(-c2cc3c(N4CCC5(CC4)OCCO5)nccn3n2)c(C)c1
InChIInChI=1S/C21H24N4O2/c1-15-3-4-17(16(2)13-15)18-14-19-20(22-7-10-25(19)23-18)24-8-5-21(6-9-24)26-11-12-27-21/h3-4,7,10,13-14H,5-6,8-9,11-12H2,1-2H3
InChIKeyNWCHNWBEROGIER-UHFFFAOYSA-N
XLogP3.36
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 53333650) is 8-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is Cc1ccc(-c2cc3c(N4CCC5(CC4)OCCO5)nccn3n2)c(C)c1.
What is the InChIKey of 8-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is NWCHNWBEROGIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-3-4-17(16(2)13-15)18-14-19-20(22-7-10-25(19)23-18)24-8-5-21(6-9-24)26-11-12-27-21/h3-4,7,10,13-14H,5-6,8-9,11-12H2,1-2H3.
What are the key properties of 8-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 364.45 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 53333650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).