3-benzyl-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one

C20H22N4O2 — CID 3088401

IUPAC3-benzyl-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one
SMILESO=c1c(Cc2ccccc2)nc2cnccc2n1CCN1CCOCC1
InChIInChI=1S/C20H22N4O2/c25-20-17(14-16-4-2-1-3-5-16)22-18-15-21-7-6-19(18)24(20)9-8-23-10-12-26-13-11-23/h1-7,15H,8-14H2
InChIKeyATDHXLDSJNJQLO-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.71
Rot. Bonds5

About 3-benzyl-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one

3-benzyl-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one (PubChem CID 3088401) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-benzyl-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name3-benzyl-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one
PubChem CID3088401
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-benzyl-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one
SMILESO=c1c(Cc2ccccc2)nc2cnccc2n1CCN1CCOCC1
InChIInChI=1S/C20H22N4O2/c25-20-17(14-16-4-2-1-3-5-16)22-18-15-21-7-6-19(18)24(20)9-8-23-10-12-26-13-11-23/h1-7,15H,8-14H2
InChIKeyATDHXLDSJNJQLO-UHFFFAOYSA-N
XLogP1.71
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-(2-morpholin-4-ylethoxy)octanamide
CID 72734880
2-Phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 695027
(3-{4-[Cyano-(2-methyl-pyridin-3-yl)-methyl]-piperazin-1-yl}-3-oxo-1-phenyl-propyl)-methyl-carbamic acid methyl ester
CID 10071653
(2-Methyl-pyridin-3-yl)-{4-[3-(2-oxo-oxazolidin-3-yl)-3-phenyl-propionyl]-piperazin-1-yl}-acetonitrile
CID 10252309
3-Phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one
CID 10268197
[4-(4-Phenyl-butyryl)-piperazin-1-yl]-pyridin-3-yl-acetonitrile; hydrate
CID 10383132
Way-317538
CID 45484303
2-Methyl-9-(2-phenylethyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562502
2-Methyl-9-(2-phenylethyl)-4-pyridin-4-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562573
2-Methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567538
((3S,4S)-3-((4-(allyl(pyridin-3-yl)amino)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)(cyclohexyl)methanone
CID 505873
((3S,4S)-3-((4-(allyl(pyridin-4-yl)amino)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)(cyclohexyl)methanone
CID 505874

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 3-benzyl-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one (CID 3088401) is 3-benzyl-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 3-benzyl-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 3-benzyl-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one is O=c1c(Cc2ccccc2)nc2cnccc2n1CCN1CCOCC1.
What is the InChIKey of 3-benzyl-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one?
The InChIKey is ATDHXLDSJNJQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20-17(14-16-4-2-1-3-5-16)22-18-15-21-7-6-19(18)24(20)9-8-23-10-12-26-13-11-23/h1-7,15H,8-14H2.
What are the key properties of 3-benzyl-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one?
3-benzyl-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one has a molecular weight of 350.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2-morpholin-4-ylethyl)pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 3088401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).