2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one

C17H22N4O3 — CID 46343992

IUPAC2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one
SMILESCCOc1nc2cccnc2n(C(CC)C(=O)N2CCCC2)c1=O
InChIInChI=1S/C17H22N4O3/c1-3-13(16(22)20-10-5-6-11-20)21-14-12(8-7-9-18-14)19-15(17(21)23)24-4-2/h7-9,13H,3-6,10-11H2,1-2H3
InChIKeyRHKOKUASLFYRTP-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.76
Rot. Bonds5

About 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one

2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 46343992) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one
PubChem CID46343992
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one
SMILESCCOc1nc2cccnc2n(C(CC)C(=O)N2CCCC2)c1=O
InChIInChI=1S/C17H22N4O3/c1-3-13(16(22)20-10-5-6-11-20)21-14-12(8-7-9-18-14)19-15(17(21)23)24-4-2/h7-9,13H,3-6,10-11H2,1-2H3
InChIKeyRHKOKUASLFYRTP-UHFFFAOYSA-N
XLogP1.76
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b]pyrazin-3-one
CID 20955227
2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide
CID 50794209
ethyl 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)acetate
CID 82017351
2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46343993
4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021494
5-[(2R)-1-(azepan-1-yl)-1-oxobutan-2-yl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 94069442
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione
CID 4905275
2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 645257
3-pentan-3-ylimidazo[4,5-b]pyridin-2-amine
CID 79290142
4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide
CID 53189854
4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 87050114

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one (CID 46343992) is 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one is CCOc1nc2cccnc2n(C(CC)C(=O)N2CCCC2)c1=O.
What is the InChIKey of 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is RHKOKUASLFYRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-13(16(22)20-10-5-6-11-20)21-14-12(8-7-9-18-14)19-15(17(21)23)24-4-2/h7-9,13H,3-6,10-11H2,1-2H3.
What are the key properties of 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one?
2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 330.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 46343992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).