3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C26H26N6O4S — CID 68875433

IUPAC3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESN#CCc1nc2cnc(Oc3cccc(S(=O)(=O)NCCN4CCOCC4)c3)cc2n1-c1ccccc1
InChIInChI=1S/C26H26N6O4S/c27-10-9-25-30-23-19-28-26(18-24(23)32(25)20-5-2-1-3-6-20)36-21-7-4-8-22(17-21)37(33,34)29-11-12-31-13-15-35-16-14-31/h1-8,17-19,29H,9,11-16H2
InChIKeyBLZSEONKSOCPKF-UHFFFAOYSA-N
MW518.60 g/mol
LogP2.89
Rot. Bonds9

About 3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide

3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 68875433) has the molecular formula C26H26N6O4S and a molecular weight of 518.60 g/mol. Its IUPAC name is 3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID68875433
Molecular FormulaC26H26N6O4S
Molecular Weight518.60 g/mol
Exact Mass518.17
IUPAC Name3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESN#CCc1nc2cnc(Oc3cccc(S(=O)(=O)NCCN4CCOCC4)c3)cc2n1-c1ccccc1
InChIInChI=1S/C26H26N6O4S/c27-10-9-25-30-23-19-28-26(18-24(23)32(25)20-5-2-1-3-6-20)36-21-7-4-8-22(17-21)37(33,34)29-11-12-31-13-15-35-16-14-31/h1-8,17-19,29H,9,11-16H2
InChIKeyBLZSEONKSOCPKF-UHFFFAOYSA-N
XLogP2.89
TPSA122.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.60
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 68873939
[[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino] nitrite
CID 87625242
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide
CID 68872548
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 42428628
N-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide
CID 68823912
5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 25180258
N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 51159495
N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide
CID 43957992
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 68875433) is 3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide is N#CCc1nc2cnc(Oc3cccc(S(=O)(=O)NCCN4CCOCC4)c3)cc2n1-c1ccccc1.
What is the InChIKey of 3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is BLZSEONKSOCPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O4S/c27-10-9-25-30-23-19-28-26(18-24(23)32(25)20-5-2-1-3-6-20)36-21-7-4-8-22(17-21)37(33,34)29-11-12-31-13-15-35-16-14-31/h1-8,17-19,29H,9,11-16H2.
What are the key properties of 3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 518.60 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 68875433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).