N-[1-[4-(2-fluoropropan-2-yloxy)phenyl]-2-(2-methoxyethoxy)ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

C23H29FN4O5 — CID 134332264

IUPACN-[1-[4-(2-fluoropropan-2-yloxy)phenyl]-2-(2-methoxyethoxy)ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCOCCOCC(NC(=O)N1CC(=O)Nc2cc(C)cnc21)c1ccc(OC(C)(C)F)cc1
InChIInChI=1S/C23H29FN4O5/c1-15-11-18-21(25-12-15)28(13-20(29)26-18)22(30)27-19(14-32-10-9-31-4)16-5-7-17(8-6-16)33-23(2,3)24/h5-8,11-12,19H,9-10,13-14H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyMBZZMPBAVGAZLL-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.35
Rot. Bonds9

About N-[1-[4-(2-fluoropropan-2-yloxy)phenyl]-2-(2-methoxyethoxy)ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

N-[1-[4-(2-fluoropropan-2-yloxy)phenyl]-2-(2-methoxyethoxy)ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (PubChem CID 134332264) has the molecular formula C23H29FN4O5 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-[1-[4-(2-fluoropropan-2-yloxy)phenyl]-2-(2-methoxyethoxy)ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-fluoropropan-2-yloxy)phenyl]-2-(2-methoxyethoxy)ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
PubChem CID134332264
Molecular FormulaC23H29FN4O5
Molecular Weight460.51 g/mol
Exact Mass460.21
IUPAC NameN-[1-[4-(2-fluoropropan-2-yloxy)phenyl]-2-(2-methoxyethoxy)ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCOCCOCC(NC(=O)N1CC(=O)Nc2cc(C)cnc21)c1ccc(OC(C)(C)F)cc1
InChIInChI=1S/C23H29FN4O5/c1-15-11-18-21(25-12-15)28(13-20(29)26-18)22(30)27-19(14-32-10-9-31-4)16-5-7-17(8-6-16)33-23(2,3)24/h5-8,11-12,19H,9-10,13-14H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyMBZZMPBAVGAZLL-UHFFFAOYSA-N
XLogP3.35
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-bromo-3-pyridinyl)oxy]-1-[4-(2-fluoropropan-2-yloxy)phenyl]ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 134332199
N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 71769070
N-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 134332172
N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-methyl-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide
CID 134332208
6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 162563368
N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide
CID 131742335
4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 118071713
2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137045845
2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(1S)-2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137045761
2-[cyclopropyl(methyl)amino]-N-[(1S)-2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137045789
4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 118133459
2-(3-methoxyazetidin-1-yl)-6-[(4-methoxyphenyl)methoxy]-N-[(1S)-2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 122505582

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-fluoropropan-2-yloxy)phenyl]-2-(2-methoxyethoxy)ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The IUPAC name of N-[1-[4-(2-fluoropropan-2-yloxy)phenyl]-2-(2-methoxyethoxy)ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (CID 134332264) is N-[1-[4-(2-fluoropropan-2-yloxy)phenyl]-2-(2-methoxyethoxy)ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.
What is the SMILES notation for N-[1-[4-(2-fluoropropan-2-yloxy)phenyl]-2-(2-methoxyethoxy)ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The canonical SMILES for N-[1-[4-(2-fluoropropan-2-yloxy)phenyl]-2-(2-methoxyethoxy)ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is COCCOCC(NC(=O)N1CC(=O)Nc2cc(C)cnc21)c1ccc(OC(C)(C)F)cc1.
What is the InChIKey of N-[1-[4-(2-fluoropropan-2-yloxy)phenyl]-2-(2-methoxyethoxy)ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The InChIKey is MBZZMPBAVGAZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O5/c1-15-11-18-21(25-12-15)28(13-20(29)26-18)22(30)27-19(14-32-10-9-31-4)16-5-7-17(8-6-16)33-23(2,3)24/h5-8,11-12,19H,9-10,13-14H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of N-[1-[4-(2-fluoropropan-2-yloxy)phenyl]-2-(2-methoxyethoxy)ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
N-[1-[4-(2-fluoropropan-2-yloxy)phenyl]-2-(2-methoxyethoxy)ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-fluoropropan-2-yloxy)phenyl]-2-(2-methoxyethoxy)ethyl]-7-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is sourced from PubChem (CID 134332264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).