5-(3-aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one

C18H21FN4O2 — CID 170123763

IUPAC5-(3-aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one
SMILESNCCCc1cn(-c2ccc(F)cc2)c(=O)c(N2CC3(COC3)C2)n1
InChIInChI=1S/C18H21FN4O2/c19-13-3-5-15(6-4-13)23-8-14(2-1-7-20)21-16(17(23)24)22-9-18(10-22)11-25-12-18/h3-6,8H,1-2,7,9-12,20H2
InChIKeyJVNBCOOFXWUDPU-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.10
Rot. Bonds5

About 5-(3-aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one

5-(3-aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one (PubChem CID 170123763) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-(3-aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one
PubChem CID170123763
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name5-(3-aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one
SMILESNCCCc1cn(-c2ccc(F)cc2)c(=O)c(N2CC3(COC3)C2)n1
InChIInChI=1S/C18H21FN4O2/c19-13-3-5-15(6-4-13)23-8-14(2-1-7-20)21-16(17(23)24)22-9-18(10-22)11-25-12-18/h3-6,8H,1-2,7,9-12,20H2
InChIKeyJVNBCOOFXWUDPU-UHFFFAOYSA-N
XLogP1.10
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one?
The IUPAC name of 5-(3-aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one (CID 170123763) is 5-(3-aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one.
What is the SMILES notation for 5-(3-aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one?
The canonical SMILES for 5-(3-aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one is NCCCc1cn(-c2ccc(F)cc2)c(=O)c(N2CC3(COC3)C2)n1.
What is the InChIKey of 5-(3-aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one?
The InChIKey is JVNBCOOFXWUDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-13-3-5-15(6-4-13)23-8-14(2-1-7-20)21-16(17(23)24)22-9-18(10-22)11-25-12-18/h3-6,8H,1-2,7,9-12,20H2.
What are the key properties of 5-(3-aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one?
5-(3-aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one has a molecular weight of 344.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-1-(4-fluorophenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one is sourced from PubChem (CID 170123763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).