2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide

C22H27N5O5S — CID 118633268

IUPAC2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide
SMILESCNS(=O)(=O)N1CCOC(COc2nc(-c3ccc(C(C)(C)O)cc3)cc3nccnc23)C1
InChIInChI=1S/C22H27N5O5S/c1-22(2,28)16-6-4-15(5-7-16)18-12-19-20(25-9-8-24-19)21(26-18)32-14-17-13-27(10-11-31-17)33(29,30)23-3/h4-9,12,17,23,28H,10-11,13-14H2,1-3H3
InChIKeyGEATXQQRMINWKA-UHFFFAOYSA-N
MW473.56 g/mol
LogP1.46
Rot. Bonds7

About 2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide

2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide (PubChem CID 118633268) has the molecular formula C22H27N5O5S and a molecular weight of 473.56 g/mol. Its IUPAC name is 2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide
PubChem CID118633268
Molecular FormulaC22H27N5O5S
Molecular Weight473.56 g/mol
Exact Mass473.17
IUPAC Name2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide
SMILESCNS(=O)(=O)N1CCOC(COc2nc(-c3ccc(C(C)(C)O)cc3)cc3nccnc23)C1
InChIInChI=1S/C22H27N5O5S/c1-22(2,28)16-6-4-15(5-7-16)18-12-19-20(25-9-8-24-19)21(26-18)32-14-17-13-27(10-11-31-17)33(29,30)23-3/h4-9,12,17,23,28H,10-11,13-14H2,1-3H3
InChIKeyGEATXQQRMINWKA-UHFFFAOYSA-N
XLogP1.46
TPSA126.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane
CID 160565907
N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide
CID 140851094
N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane
CID 158254015
(2S)-2-[[7-(4-tert-butylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
CID 118633318
2-[[7-(4-pyrrolidin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide
CID 129178697
(2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine
CID 75203400
(2S)-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-propan-2-ylsulfonylmorpholine
CID 75203276
(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
CID 118474575
N,N-dimethyl-5-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyridin-2-amine
CID 118633263
(2S)-2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-(oxomethylidene)morpholine-4-sulfonamide
CID 90213336
2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-(oxomethylidene)morpholine-4-sulfonamide
CID 129178749
(2S)-2-[[7-[4-(4,4-difluoropiperidin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide
CID 75203772

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide?
The IUPAC name of 2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide (CID 118633268) is 2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide.
What is the SMILES notation for 2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide?
The canonical SMILES for 2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide is CNS(=O)(=O)N1CCOC(COc2nc(-c3ccc(C(C)(C)O)cc3)cc3nccnc23)C1.
What is the InChIKey of 2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide?
The InChIKey is GEATXQQRMINWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O5S/c1-22(2,28)16-6-4-15(5-7-16)18-12-19-20(25-9-8-24-19)21(26-18)32-14-17-13-27(10-11-31-17)33(29,30)23-3/h4-9,12,17,23,28H,10-11,13-14H2,1-3H3.
What are the key properties of 2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide?
2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide has a molecular weight of 473.56 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide is sourced from PubChem (CID 118633268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).