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

C23H28N6O4S2 — CID 160565907

IUPAC2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane
SMILESCNS(=O)(=O)N1CCOC(COc2nc(-c3ccc(C(C)(C)C#N)cc3)cc3nccnc23)C1.S
InChIInChI=1S/C23H26N6O4S.H2S/c1-23(2,15-24)17-6-4-16(5-7-17)19-12-20-21(27-9-8-26-20)22(28-19)33-14-18-13-29(10-11-32-18)34(30,31)25-3;/h4-9,12,18,25H,10-11,13-14H2,1-3H3;1H2
InChIKeyQZXLKYOEQOSJPS-UHFFFAOYSA-N
MW516.65 g/mol
LogP2.15
Rot. Bonds7

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

2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane (PubChem CID 160565907) has the molecular formula C23H28N6O4S2 and a molecular weight of 516.65 g/mol. Its IUPAC name is 2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane.

Molecular Properties

Compound Name2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane
PubChem CID160565907
Molecular FormulaC23H28N6O4S2
Molecular Weight516.65 g/mol
Exact Mass516.16
IUPAC Name2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane
SMILESCNS(=O)(=O)N1CCOC(COc2nc(-c3ccc(C(C)(C)C#N)cc3)cc3nccnc23)C1.S
InChIInChI=1S/C23H26N6O4S.H2S/c1-23(2,15-24)17-6-4-16(5-7-17)19-12-20-21(27-9-8-26-20)22(28-19)33-14-18-13-29(10-11-32-18)34(30,31)25-3;/h4-9,12,18,25H,10-11,13-14H2,1-3H3;1H2
InChIKeyQZXLKYOEQOSJPS-UHFFFAOYSA-N
XLogP2.15
TPSA130.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.65
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide
CID 118633268
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
2-[[7-(4-pyrrolidin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide
CID 129178697
(2S)-2-[[7-(4-tert-butylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
CID 118633318
(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
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
(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 2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane?
The IUPAC name of 2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane (CID 160565907) is 2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane.
What is the SMILES notation for 2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane?
The canonical SMILES for 2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane is CNS(=O)(=O)N1CCOC(COc2nc(-c3ccc(C(C)(C)C#N)cc3)cc3nccnc23)C1.S.
What is the InChIKey of 2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane?
The InChIKey is QZXLKYOEQOSJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S.H2S/c1-23(2,15-24)17-6-4-16(5-7-17)19-12-20-21(27-9-8-26-20)22(28-19)33-14-18-13-29(10-11-32-18)34(30,31)25-3;/h4-9,12,18,25H,10-11,13-14H2,1-3H3;1H2.
What are the key properties of 2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane?
2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane has a molecular weight of 516.65 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane is sourced from PubChem (CID 160565907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).