3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide

C23H24N6O6S — CID 6416907

IUPAC3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc3c4cc(S(=O)(=O)N5CCOCC5)ccc4n(C)c3n2)cc1OC
InChIInChI=1S/C23H24N6O6S/c1-28-17-6-5-15(36(31,32)29-8-10-35-11-9-29)13-16(17)20-21(28)24-23(27-26-20)25-22(30)14-4-7-18(33-2)19(12-14)34-3/h4-7,12-13H,8-11H2,1-3H3,(H,24,25,27,30)
InChIKeyCEDPWKFLLLGCSA-UHFFFAOYSA-N
MW512.55 g/mol
LogP1.81
Rot. Bonds6

About 3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide

3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (PubChem CID 6416907) has the molecular formula C23H24N6O6S and a molecular weight of 512.55 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
PubChem CID6416907
Molecular FormulaC23H24N6O6S
Molecular Weight512.55 g/mol
Exact Mass512.15
IUPAC Name3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc3c4cc(S(=O)(=O)N5CCOCC5)ccc4n(C)c3n2)cc1OC
InChIInChI=1S/C23H24N6O6S/c1-28-17-6-5-15(36(31,32)29-8-10-35-11-9-29)13-16(17)20-21(28)24-23(27-26-20)25-22(30)14-4-7-18(33-2)19(12-14)34-3/h4-7,12-13H,8-11H2,1-3H3,(H,24,25,27,30)
InChIKeyCEDPWKFLLLGCSA-UHFFFAOYSA-N
XLogP1.81
TPSA137.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.55
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3,4-dimethoxy-N-(5-methyl-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417003
4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416781
N-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide
CID 6416793
3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4521937
6-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 27283385
N-(5-ethyl-8-piperidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416984
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
4-(ethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 24636024
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
4-methoxy-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5058872
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (CID 6416907) is 3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is COc1ccc(C(=O)Nc2nnc3c4cc(S(=O)(=O)N5CCOCC5)ccc4n(C)c3n2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The InChIKey is CEDPWKFLLLGCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O6S/c1-28-17-6-5-15(36(31,32)29-8-10-35-11-9-29)13-16(17)20-21(28)24-23(27-26-20)25-22(30)14-4-7-18(33-2)19(12-14)34-3/h4-7,12-13H,8-11H2,1-3H3,(H,24,25,27,30).
What are the key properties of 3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide has a molecular weight of 512.55 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is sourced from PubChem (CID 6416907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).