4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C22H21N5O3 — CID 118133459

IUPAC4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCC(Oc1ccc(-c2ncc(C)cn2)cc1)C(=O)N1CC(=O)Nc2cccnc21
InChIInChI=1S/C22H21N5O3/c1-3-18(22(29)27-13-19(28)26-17-5-4-10-23-21(17)27)30-16-8-6-15(7-9-16)20-24-11-14(2)12-25-20/h4-12,18H,3,13H2,1-2H3,(H,26,28)
InChIKeyOWUIDDVIXONYEO-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.99
Rot. Bonds5

About 4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one

4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 118133459) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID118133459
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCC(Oc1ccc(-c2ncc(C)cn2)cc1)C(=O)N1CC(=O)Nc2cccnc21
InChIInChI=1S/C22H21N5O3/c1-3-18(22(29)27-13-19(28)26-17-5-4-10-23-21(17)27)30-16-8-6-15(7-9-16)20-24-11-14(2)12-25-20/h4-12,18H,3,13H2,1-2H3,(H,26,28)
InChIKeyOWUIDDVIXONYEO-UHFFFAOYSA-N
XLogP2.99
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[4-(2-hydroxyethyl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 118071771
3-fluoro-4-[4-[1-oxo-1-(2-oxo-1,3-dihydropyrido[2,3-b]pyrazin-4-yl)butan-2-yl]oxyphenyl]benzonitrile
CID 118133462
4-[2-[3-methyl-4-(5-methyl-1,2-oxazol-3-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 118133460
4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one
CID 40747048
4-[3-methyl-2-[4-(trifluoromethoxy)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 118071713
2-(4-methylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 44782482
4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 43818910
7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one
CID 136518452
2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine
CID 19436135
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 4-propoxybenzoate
CID 8736332
5-(4-methylphenyl)-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
CID 79294407

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 118133459) is 4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCC(Oc1ccc(-c2ncc(C)cn2)cc1)C(=O)N1CC(=O)Nc2cccnc21.
What is the InChIKey of 4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is OWUIDDVIXONYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-3-18(22(29)27-13-19(28)26-17-5-4-10-23-21(17)27)30-16-8-6-15(7-9-16)20-24-11-14(2)12-25-20/h4-12,18H,3,13H2,1-2H3,(H,26,28).
What are the key properties of 4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 403.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 118133459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).