2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one

C22H39FN4O — CID 134577911

IUPAC2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESNC1CNC2(CCCCCCCCC2)C(F)C1N1CCN2C(=O)CCCC2C1
InChIInChI=1S/C22H39FN4O/c23-21-20(26-13-14-27-17(16-26)9-8-10-19(27)28)18(24)15-25-22(21)11-6-4-2-1-3-5-7-12-22/h17-18,20-21,25H,1-16,24H2
InChIKeyJUOUGIKZNUHLKO-UHFFFAOYSA-N
MW394.58 g/mol
LogP2.58
Rot. Bonds1

About 2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one

2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one (PubChem CID 134577911) has the molecular formula C22H39FN4O and a molecular weight of 394.58 g/mol. Its IUPAC name is 2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
PubChem CID134577911
Molecular FormulaC22H39FN4O
Molecular Weight394.58 g/mol
Exact Mass394.31
IUPAC Name2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESNC1CNC2(CCCCCCCCC2)C(F)C1N1CCN2C(=O)CCCC2C1
InChIInChI=1S/C22H39FN4O/c23-21-20(26-13-14-27-17(16-26)9-8-10-19(27)28)18(24)15-25-22(21)11-6-4-2-1-3-5-7-12-22/h17-18,20-21,25H,1-16,24H2
InChIKeyJUOUGIKZNUHLKO-UHFFFAOYSA-N
XLogP2.58
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.58
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one (CID 134577911) is 2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one is NC1CNC2(CCCCCCCCC2)C(F)C1N1CCN2C(=O)CCCC2C1.
What is the InChIKey of 2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
The InChIKey is JUOUGIKZNUHLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39FN4O/c23-21-20(26-13-14-27-17(16-26)9-8-10-19(27)28)18(24)15-25-22(21)11-6-4-2-1-3-5-7-12-22/h17-18,20-21,25H,1-16,24H2.
What are the key properties of 2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one has a molecular weight of 394.58 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-fluoro-1-azaspiro[5.9]pentadecan-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one is sourced from PubChem (CID 134577911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).