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

C13H21FN4O — CID 134340070

IUPAC2-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESNC1C=NCC(F)C1N1CCN2C(=O)CCCC2C1
InChIInChI=1S/C13H21FN4O/c14-10-6-16-7-11(15)13(10)17-4-5-18-9(8-17)2-1-3-12(18)19/h7,9-11,13H,1-6,8,15H2
InChIKeyCWUWQNNWRCEXBB-UHFFFAOYSA-N
MW268.34 g/mol
LogP-0.20
Rot. Bonds1

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

2-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one (PubChem CID 134340070) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
PubChem CID134340070
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name2-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESNC1C=NCC(F)C1N1CCN2C(=O)CCCC2C1
InChIInChI=1S/C13H21FN4O/c14-10-6-16-7-11(15)13(10)17-4-5-18-9(8-17)2-1-3-12(18)19/h7,9-11,13H,1-6,8,15H2
InChIKeyCWUWQNNWRCEXBB-UHFFFAOYSA-N
XLogP-0.20
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-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-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one (CID 134340070) is 2-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one is NC1C=NCC(F)C1N1CCN2C(=O)CCCC2C1.
What is the InChIKey of 2-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
The InChIKey is CWUWQNNWRCEXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c14-10-6-16-7-11(15)13(10)17-4-5-18-9(8-17)2-1-3-12(18)19/h7,9-11,13H,1-6,8,15H2.
What are the key properties of 2-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?
2-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one has a molecular weight of 268.34 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-fluoro-2,3,4,5-tetrahydropyridin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one is sourced from PubChem (CID 134340070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).