(2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine

C24H30N6O4S — CID 75203400

IUPAC(2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine
SMILESCN1CCN(c2ccc(-c3cc4nccnc4c(OC[C@@H]4CN(S(C)(=O)=O)CCO4)n3)cc2)CC1
InChIInChI=1S/C24H30N6O4S/c1-28-9-11-29(12-10-28)19-5-3-18(4-6-19)21-15-22-23(26-8-7-25-22)24(27-21)34-17-20-16-30(13-14-33-20)35(2,31)32/h3-8,15,20H,9-14,16-17H2,1-2H3/t20-/m0/s1
InChIKeyCTYKNGHFGLYGJR-FQEVSTJZSA-N
MW498.61 g/mol
LogP1.48
Rot. Bonds6

About (2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine

(2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine (PubChem CID 75203400) has the molecular formula C24H30N6O4S and a molecular weight of 498.61 g/mol. Its IUPAC name is (2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name(2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine
PubChem CID75203400
Molecular FormulaC24H30N6O4S
Molecular Weight498.61 g/mol
Exact Mass498.20
IUPAC Name(2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine
SMILESCN1CCN(c2ccc(-c3cc4nccnc4c(OC[C@@H]4CN(S(C)(=O)=O)CCO4)n3)cc2)CC1
InChIInChI=1S/C24H30N6O4S/c1-28-9-11-29(12-10-28)19-5-3-18(4-6-19)21-15-22-23(26-8-7-25-22)24(27-21)34-17-20-16-30(13-14-33-20)35(2,31)32/h3-8,15,20H,9-14,16-17H2,1-2H3/t20-/m0/s1
InChIKeyCTYKNGHFGLYGJR-FQEVSTJZSA-N
XLogP1.48
TPSA100.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane
CID 158254015
N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide
CID 140851094
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-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine
CID 75203274
(2S)-2-[[7-[4-(4,4-difluoropiperidin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide
CID 75203772
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
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine?
The IUPAC name of (2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine (CID 75203400) is (2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine.
What is the SMILES notation for (2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine?
The canonical SMILES for (2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine is CN1CCN(c2ccc(-c3cc4nccnc4c(OC[C@@H]4CN(S(C)(=O)=O)CCO4)n3)cc2)CC1.
What is the InChIKey of (2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine?
The InChIKey is CTYKNGHFGLYGJR-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H30N6O4S/c1-28-9-11-29(12-10-28)19-5-3-18(4-6-19)21-15-22-23(26-8-7-25-22)24(27-21)34-17-20-16-30(13-14-33-20)35(2,31)32/h3-8,15,20H,9-14,16-17H2,1-2H3/t20-/m0/s1.
What are the key properties of (2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine?
(2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine has a molecular weight of 498.61 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine is sourced from PubChem (CID 75203400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).