N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide

C23H28N6O5S — CID 140851094

IUPACN-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide
SMILESCNS(=O)(=O)N1CCOC(COc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1
InChIInChI=1S/C23H28N6O5S/c1-24-35(30,31)29-10-13-33-19(15-29)16-34-23-22-21(25-6-7-26-22)14-20(27-23)17-2-4-18(5-3-17)28-8-11-32-12-9-28/h2-7,14,19,24H,8-13,15-16H2,1H3
InChIKeyYXHFEHMKJFGRCA-UHFFFAOYSA-N
MW500.58 g/mol
LogP1.07
Rot. Bonds7

About N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide

N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide (PubChem CID 140851094) has the molecular formula C23H28N6O5S and a molecular weight of 500.58 g/mol. Its IUPAC name is N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide
PubChem CID140851094
Molecular FormulaC23H28N6O5S
Molecular Weight500.58 g/mol
Exact Mass500.18
IUPAC NameN-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide
SMILESCNS(=O)(=O)N1CCOC(COc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1
InChIInChI=1S/C23H28N6O5S/c1-24-35(30,31)29-10-13-33-19(15-29)16-34-23-22-21(25-6-7-26-22)14-20(27-23)17-2-4-18(5-3-17)28-8-11-32-12-9-28/h2-7,14,19,24H,8-13,15-16H2,1H3
InChIKeyYXHFEHMKJFGRCA-UHFFFAOYSA-N
XLogP1.07
TPSA119.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide?
The IUPAC name of N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide (CID 140851094) is N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide?
The canonical SMILES for N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide is CNS(=O)(=O)N1CCOC(COc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1.
What is the InChIKey of N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide?
The InChIKey is YXHFEHMKJFGRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O5S/c1-24-35(30,31)29-10-13-33-19(15-29)16-34-23-22-21(25-6-7-26-22)14-20(27-23)17-2-4-18(5-3-17)28-8-11-32-12-9-28/h2-7,14,19,24H,8-13,15-16H2,1H3.
What are the key properties of N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide?
N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide has a molecular weight of 500.58 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-sulfonamide is sourced from PubChem (CID 140851094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).