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

C25H25BrFN5O4 — CID 134332199

IUPACN-[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
SMILESCc1cnc2c(c1)NC(=O)CN2C(=O)NC(COc1cncc(Br)c1)c1ccc(OC(C)(C)F)cc1
InChIInChI=1S/C25H25BrFN5O4/c1-15-8-20-23(29-10-15)32(13-22(33)30-20)24(34)31-21(14-35-19-9-17(26)11-28-12-19)16-4-6-18(7-5-16)36-25(2,3)27/h4-12,21H,13-14H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyLDHYKOKLBMUWAY-UHFFFAOYSA-N
MW558.41 g/mol
LogP4.92
Rot. Bonds7

About 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

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 (PubChem CID 134332199) has the molecular formula C25H25BrFN5O4 and a molecular weight of 558.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID134332199
Molecular FormulaC25H25BrFN5O4
Molecular Weight558.41 g/mol
Exact Mass557.11
IUPAC NameN-[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
SMILESCc1cnc2c(c1)NC(=O)CN2C(=O)NC(COc1cncc(Br)c1)c1ccc(OC(C)(C)F)cc1
InChIInChI=1S/C25H25BrFN5O4/c1-15-8-20-23(29-10-15)32(13-22(33)30-20)24(34)31-21(14-35-19-9-17(26)11-28-12-19)16-4-6-18(7-5-16)36-25(2,3)27/h4-12,21H,13-14H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyLDHYKOKLBMUWAY-UHFFFAOYSA-N
XLogP4.92
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.41
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 162563368
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
4-[2-(5-fluoro-2-pyridinyl)acetyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 126813091
(2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol
CID 106933139
(2R)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol
CID 106933138
1-[(5-bromo-3-pyridinyl)oxy]-3-(tert-butylamino)propan-2-ol
CID 115476145
4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 79306006
N-[1-(4-methylphenyl)propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide
CID 134332166
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc2c(c1)NC(=O)CN2C(=O)NC(COc1cncc(Br)c1)c1ccc(OC(C)(C)F)cc1.
What is the InChIKey of 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?
The InChIKey is LDHYKOKLBMUWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrFN5O4/c1-15-8-20-23(29-10-15)32(13-22(33)30-20)24(34)31-21(14-35-19-9-17(26)11-28-12-19)16-4-6-18(7-5-16)36-25(2,3)27/h4-12,21H,13-14H2,1-3H3,(H,30,33)(H,31,34).
What are the key properties of 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?
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 has a molecular weight of 558.41 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134332199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).