3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

C135H174N38O16S7 — CID 162192413

IUPAC3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nnc(N(C)Cc3ccccc3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(N3CCN(Cc4ccccc4)CC3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NC3CCc4ccccc43)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCC(C)(C)OC)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCc3ccc(-c4ccccc4)cc3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(N[C@@H](C)C(=O)N3CCCCC3)n2c1.CCN(c1cccnc1)S(=O)(=O)c1ccc2nnc(N[C@H](C)c3ccccc3)n2c1
InChIInChI=1S/C23H25N5O2S.C21H22N6O2S.C21H28N6O2S.C19H23N5O2S.C18H28N6O3S.C18H23N5O2S.C15H25N5O3S/c1-3-27(4-2)31(29,30)21-14-15-22-25-26-23(28(22)17-21)24-16-18-10-12-20(13-11-18)19-8-6-5-7-9-19;1-3-27(18-10-7-13-22-14-18)30(28,29)19-11-12-20-24-25-21(26(20)15-19)23-16(2)17-8-5-4-6-9-17;1-3-26(4-2)30(28,29)19-10-11-20-22-23-21(27(20)17-19)25-14-12-24(13-15-25)16-18-8-6-5-7-9-18;1-3-23(4-2)27(25,26)15-10-12-18-21-22-19(24(18)13-15)20-17-11-9-14-7-5-6-8-16(14)17;1-4-23(5-2)28(26,27)15-9-10-16-20-21-18(24(16)13-15)19-14(3)17(25)22-11-7-6-8-12-22;1-4-22(5-2)26(24,25)16-11-12-17-19-20-18(23(17)14-16)21(3)13-15-9-7-6-8-10-15;1-6-19(7-2)24(21,22)12-8-9-13-17-18-14(20(13)10-12)16-11-15(3,4)23-5/h5-15,17H,3-4,16H2,1-2H3,(H,24,26);4-16H,3H2,1-2H3,(H,23,25);5-11,17H,3-4,12-16H2,1-2H3;5-8,10,12-13,17H,3-4,9,11H2,1-2H3,(H,20,22);9-10,13-14H,4-8,11-12H2,1-3H3,(H,19,21);6-12,14H,4-5,13H2,1-3H3;8-10H,6-7,11H2,1-5H3,(H,16,18)/t;16-;;;14-;;/m.1..0../s1
InChIKeyZQMFSFMSTHWKHQ-PLYASJOLSA-N
MW2809.60 g/mol
LogP18.06
Rot. Bonds50

About 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (PubChem CID 162192413) has the molecular formula C135H174N38O16S7 and a molecular weight of 2809.60 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
PubChem CID162192413
Molecular FormulaC135H174N38O16S7
Molecular Weight2809.60 g/mol
Exact Mass2807.20
IUPAC Name3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nnc(N(C)Cc3ccccc3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(N3CCN(Cc4ccccc4)CC3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NC3CCc4ccccc43)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCC(C)(C)OC)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCc3ccc(-c4ccccc4)cc3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(N[C@@H](C)C(=O)N3CCCCC3)n2c1.CCN(c1cccnc1)S(=O)(=O)c1ccc2nnc(N[C@H](C)c3ccccc3)n2c1
InChIInChI=1S/C23H25N5O2S.C21H22N6O2S.C21H28N6O2S.C19H23N5O2S.C18H28N6O3S.C18H23N5O2S.C15H25N5O3S/c1-3-27(4-2)31(29,30)21-14-15-22-25-26-23(28(22)17-21)24-16-18-10-12-20(13-11-18)19-8-6-5-7-9-19;1-3-27(18-10-7-13-22-14-18)30(28,29)19-11-12-20-24-25-21(26(20)15-19)23-16(2)17-8-5-4-6-9-17;1-3-26(4-2)30(28,29)19-10-11-20-22-23-21(27(20)17-19)25-14-12-24(13-15-25)16-18-8-6-5-7-9-18;1-3-23(4-2)27(25,26)15-10-12-18-21-22-19(24(18)13-15)20-17-11-9-14-7-5-6-8-16(14)17;1-4-23(5-2)28(26,27)15-9-10-16-20-21-18(24(16)13-15)19-14(3)17(25)22-11-7-6-8-12-22;1-4-22(5-2)26(24,25)16-11-12-17-19-20-18(23(17)14-16)21(3)13-15-9-7-6-8-10-15;1-6-19(7-2)24(21,22)12-8-9-13-17-18-14(20(13)10-12)16-11-15(3,4)23-5/h5-15,17H,3-4,16H2,1-2H3,(H,24,26);4-16H,3H2,1-2H3,(H,23,25);5-11,17H,3-4,12-16H2,1-2H3;5-8,10,12-13,17H,3-4,9,11H2,1-2H3,(H,20,22);9-10,13-14H,4-8,11-12H2,1-3H3,(H,19,21);6-12,14H,4-5,13H2,1-3H3;8-10H,6-7,11H2,1-5H3,(H,16,18)/t;16-;;;14-;;/m.1..0../s1
InChIKeyZQMFSFMSTHWKHQ-PLYASJOLSA-N
XLogP18.06
TPSA585.29 Ų
H-Bond Donors5
H-Bond Acceptors46
Rotatable Bonds50
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002809.60
LogP ≤ 518.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1046

Analyze 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide with MolForge

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Related Compounds

3-(cyclohexylmethylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;2-[[6-(diethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]-N-(3,4-dimethylphenyl)acetamide;N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[[(1R)-1-phenylethyl]amino]-N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 161038381
N,N-diethyl-3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(4-methylpentan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(pyridin-3-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(1-phenylethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 159158113
N,N-diethyl-3-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(1R)-2-methyl-1-phenylpropyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(oxan-4-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(1R)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,3-dimethylbutylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 161159886
2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one;sulfane
CID 161541802

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (CID 162192413) is 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2nnc(N(C)Cc3ccccc3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(N3CCN(Cc4ccccc4)CC3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NC3CCc4ccccc43)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCC(C)(C)OC)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCc3ccc(-c4ccccc4)cc3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(N[C@@H](C)C(=O)N3CCCCC3)n2c1.CCN(c1cccnc1)S(=O)(=O)c1ccc2nnc(N[C@H](C)c3ccccc3)n2c1.
What is the InChIKey of 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The InChIKey is ZQMFSFMSTHWKHQ-PLYASJOLSA-N. The full InChI is InChI=1S/C23H25N5O2S.C21H22N6O2S.C21H28N6O2S.C19H23N5O2S.C18H28N6O3S.C18H23N5O2S.C15H25N5O3S/c1-3-27(4-2)31(29,30)21-14-15-22-25-26-23(28(22)17-21)24-16-18-10-12-20(13-11-18)19-8-6-5-7-9-19;1-3-27(18-10-7-13-22-14-18)30(28,29)19-11-12-20-24-25-21(26(20)15-19)23-16(2)17-8-5-4-6-9-17;1-3-26(4-2)30(28,29)19-10-11-20-22-23-21(27(20)17-19)25-14-12-24(13-15-25)16-18-8-6-5-7-9-18;1-3-23(4-2)27(25,26)15-10-12-18-21-22-19(24(18)13-15)20-17-11-9-14-7-5-6-8-16(14)17;1-4-23(5-2)28(26,27)15-9-10-16-20-21-18(24(16)13-15)19-14(3)17(25)22-11-7-6-8-12-22;1-4-22(5-2)26(24,25)16-11-12-17-19-20-18(23(17)14-16)21(3)13-15-9-7-6-8-10-15;1-6-19(7-2)24(21,22)12-8-9-13-17-18-14(20(13)10-12)16-11-15(3,4)23-5/h5-15,17H,3-4,16H2,1-2H3,(H,24,26);4-16H,3H2,1-2H3,(H,23,25);5-11,17H,3-4,12-16H2,1-2H3;5-8,10,12-13,17H,3-4,9,11H2,1-2H3,(H,20,22);9-10,13-14H,4-8,11-12H2,1-3H3,(H,19,21);6-12,14H,4-5,13H2,1-3H3;8-10H,6-7,11H2,1-5H3,(H,16,18)/t;16-;;;14-;;/m.1..0../s1.
What are the key properties of 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide has a molecular weight of 2809.60 g/mol, XLogP of 18.06, 50 rotatable bonds, 5 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(4-benzylpiperazin-1-yl)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(2-methoxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-phenylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(2,3-dihydro-1H-inden-1-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-ethyl-3-[[(1R)-1-phenylethyl]amino]-N-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is sourced from PubChem (CID 162192413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).