4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one

C24H27N5O4S — CID 118624756

IUPAC4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCS(=O)(=O)N1CCC(c2ccc(-c3cc4nccnc4c(OCC4CNC(=O)C4)n3)cc2)CC1
InChIInChI=1S/C24H27N5O4S/c1-34(31,32)29-10-6-18(7-11-29)17-2-4-19(5-3-17)20-13-21-23(26-9-8-25-21)24(28-20)33-15-16-12-22(30)27-14-16/h2-5,8-9,13,16,18H,6-7,10-12,14-15H2,1H3,(H,27,30)
InChIKeyNYISDTXIENGSNT-UHFFFAOYSA-N
MW481.58 g/mol
LogP2.35
Rot. Bonds6

About 4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one

4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 118624756) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID118624756
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCS(=O)(=O)N1CCC(c2ccc(-c3cc4nccnc4c(OCC4CNC(=O)C4)n3)cc2)CC1
InChIInChI=1S/C24H27N5O4S/c1-34(31,32)29-10-6-18(7-11-29)17-2-4-19(5-3-17)20-13-21-23(26-9-8-25-21)24(28-20)33-15-16-12-22(30)27-14-16/h2-5,8-9,13,16,18H,6-7,10-12,14-15H2,1H3,(H,27,30)
InChIKeyNYISDTXIENGSNT-UHFFFAOYSA-N
XLogP2.35
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one
CID 118633325
methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine
CID 158346804
(4S)-4-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one;sulfane
CID 160729539
4-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]pyrrolidin-2-one
CID 90202720
N-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine
CID 123481343
N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane
CID 158254015
1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 129178700
(2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine
CID 75203400
N,N-dimethyl-5-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyridin-2-amine
CID 118633263
5-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]piperidin-2-one
CID 118468507
(4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072029
(2S)-2-[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine
CID 75203274

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one (CID 118624756) is 4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one is CS(=O)(=O)N1CCC(c2ccc(-c3cc4nccnc4c(OCC4CNC(=O)C4)n3)cc2)CC1.
What is the InChIKey of 4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is NYISDTXIENGSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-34(31,32)29-10-6-18(7-11-29)17-2-4-19(5-3-17)20-13-21-23(26-9-8-25-21)24(28-20)33-15-16-12-22(30)27-14-16/h2-5,8-9,13,16,18H,6-7,10-12,14-15H2,1H3,(H,27,30).
What are the key properties of 4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one?
4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 481.58 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 118624756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).