N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane

C20H25N5O4S2 — CID 158254015

IUPACN-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane
SMILESCNc1ccc(-c2cc3nccnc3c(OC[C@@H]3CN(S(C)(=O)=O)CCO3)n2)cc1.S
InChIInChI=1S/C20H23N5O4S.H2S/c1-21-15-5-3-14(4-6-15)17-11-18-19(23-8-7-22-18)20(24-17)29-13-16-12-25(9-10-28-16)30(2,26)27;/h3-8,11,16,21H,9-10,12-13H2,1-2H3;1H2/t16-;/m0./s1
InChIKeyGHBCIACDJBEDNE-NTISSMGPSA-N
MW463.59 g/mol
LogP1.89
Rot. Bonds6

About N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane

N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane (PubChem CID 158254015) has the molecular formula C20H25N5O4S2 and a molecular weight of 463.59 g/mol. Its IUPAC name is N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane.

Molecular Properties

Compound NameN-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane
PubChem CID158254015
Molecular FormulaC20H25N5O4S2
Molecular Weight463.59 g/mol
Exact Mass463.13
IUPAC NameN-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane
SMILESCNc1ccc(-c2cc3nccnc3c(OC[C@@H]3CN(S(C)(=O)=O)CCO3)n2)cc1.S
InChIInChI=1S/C20H23N5O4S.H2S/c1-21-15-5-3-14(4-6-15)17-11-18-19(23-8-7-22-18)20(24-17)29-13-16-12-25(9-10-28-16)30(2,26)27;/h3-8,11,16,21H,9-10,12-13H2,1-2H3;1H2/t16-;/m0./s1
InChIKeyGHBCIACDJBEDNE-NTISSMGPSA-N
XLogP1.89
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;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

(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
N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide
CID 140851094
(2S)-2-[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine
CID 75203274
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
2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide
CID 118633268
2-[[7-[4-(2-cyanopropan-2-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-sulfonamide;sulfane
CID 160565907
2-[[7-(4-pyrrolidin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide
CID 129178697
(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
(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-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-(oxomethylidene)morpholine-4-sulfonamide
CID 90213336

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane?
The IUPAC name of N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane (CID 158254015) is N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane.
What is the SMILES notation for N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane?
The canonical SMILES for N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane is CNc1ccc(-c2cc3nccnc3c(OC[C@@H]3CN(S(C)(=O)=O)CCO3)n2)cc1.S.
What is the InChIKey of N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane?
The InChIKey is GHBCIACDJBEDNE-NTISSMGPSA-N. The full InChI is InChI=1S/C20H23N5O4S.H2S/c1-21-15-5-3-14(4-6-15)17-11-18-19(23-8-7-22-18)20(24-17)29-13-16-12-25(9-10-28-16)30(2,26)27;/h3-8,11,16,21H,9-10,12-13H2,1-2H3;1H2/t16-;/m0./s1.
What are the key properties of N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane?
N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane has a molecular weight of 463.59 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane is sourced from PubChem (CID 158254015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).