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

C19H19FN4O2 — CID 53333617

IUPAC8-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(-c2cc3c(N4CCC5(CC4)OCCO5)nccn3n2)cc1
InChIInChI=1S/C19H19FN4O2/c20-15-3-1-14(2-4-15)16-13-17-18(21-7-10-24(17)22-16)23-8-5-19(6-9-23)25-11-12-26-19/h1-4,7,10,13H,5-6,8-9,11-12H2
InChIKeyMJAADYCYBJQJQT-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.88
Rot. Bonds2

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

8-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 53333617) has the molecular formula C19H19FN4O2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 8-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID53333617
Molecular FormulaC19H19FN4O2
Molecular Weight354.38 g/mol
Exact Mass354.15
IUPAC Name8-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(-c2cc3c(N4CCC5(CC4)OCCO5)nccn3n2)cc1
InChIInChI=1S/C19H19FN4O2/c20-15-3-1-14(2-4-15)16-13-17-18(21-7-10-24(17)22-16)23-8-5-19(6-9-23)25-11-12-26-19/h1-4,7,10,13H,5-6,8-9,11-12H2
InChIKeyMJAADYCYBJQJQT-UHFFFAOYSA-N
XLogP2.88
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 53333617) is 8-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is Fc1ccc(-c2cc3c(N4CCC5(CC4)OCCO5)nccn3n2)cc1.
What is the InChIKey of 8-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is MJAADYCYBJQJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-15-3-1-14(2-4-15)16-13-17-18(21-7-10-24(17)22-16)23-8-5-19(6-9-23)25-11-12-26-19/h1-4,7,10,13H,5-6,8-9,11-12H2.
What are the key properties of 8-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 354.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 53333617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).