N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide

C17H22F2N4O2 — CID 177350146

IUPACN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide
SMILESC[C@H](NC(=O)C[C@H]1NC2NCCCC2NC1=O)c1ccc(F)cc1F
InChIInChI=1S/C17H22F2N4O2/c1-9(11-5-4-10(18)7-12(11)19)21-15(24)8-14-17(25)23-13-3-2-6-20-16(13)22-14/h4-5,7,9,13-14,16,20,22H,2-3,6,8H2,1H3,(H,21,24)(H,23,25)/t9-,13?,14+,16?/m0/s1
InChIKeyMPYJVGIDOFPUDV-CUQIOINQSA-N
MW352.39 g/mol
LogP0.70
Rot. Bonds4

About N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide (PubChem CID 177350146) has the molecular formula C17H22F2N4O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide
PubChem CID177350146
Molecular FormulaC17H22F2N4O2
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide
SMILESC[C@H](NC(=O)C[C@H]1NC2NCCCC2NC1=O)c1ccc(F)cc1F
InChIInChI=1S/C17H22F2N4O2/c1-9(11-5-4-10(18)7-12(11)19)21-15(24)8-14-17(25)23-13-3-2-6-20-16(13)22-14/h4-5,7,9,13-14,16,20,22H,2-3,6,8H2,1H3,(H,21,24)(H,23,25)/t9-,13?,14+,16?/m0/s1
InChIKeyMPYJVGIDOFPUDV-CUQIOINQSA-N
XLogP0.70
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide with MolForge

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide
CID 177350154
2-cyclopentyl-N-[1-(2,4-difluorophenyl)ethyl]acetamide
CID 78778579
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119795514
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795513
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 98469126
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9231906
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119785383
N-[1-(2,4-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;6-fluoro-1H-quinazoline-2,4-dione
CID 177352131
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
2-[(2R,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(4-fluorophenyl)acetamide
CID 6546718
N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617899

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide (CID 177350146) is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide is C[C@H](NC(=O)C[C@H]1NC2NCCCC2NC1=O)c1ccc(F)cc1F.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide?
The InChIKey is MPYJVGIDOFPUDV-CUQIOINQSA-N. The full InChI is InChI=1S/C17H22F2N4O2/c1-9(11-5-4-10(18)7-12(11)19)21-15(24)8-14-17(25)23-13-3-2-6-20-16(13)22-14/h4-5,7,9,13-14,16,20,22H,2-3,6,8H2,1H3,(H,21,24)(H,23,25)/t9-,13?,14+,16?/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide?
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(3R)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-b]pyrazin-3-yl]acetamide is sourced from PubChem (CID 177350146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).