3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

C63H93N19O11S4 — CID 159772274

IUPAC3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nnc(CCC(O)COC)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NC3CCCC3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCCc3ccccc3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NC[C@H]3CCCO3)n2c1
InChIInChI=1S/C18H23N5O2S.C15H23N5O3S.C15H23N5O2S.C15H24N4O4S/c1-3-22(4-2)26(24,25)16-10-11-17-20-21-18(23(17)14-16)19-13-12-15-8-6-5-7-9-15;1-3-19(4-2)24(21,22)13-7-8-14-17-18-15(20(14)11-13)16-10-12-6-5-9-23-12;1-3-19(4-2)23(21,22)13-9-10-14-17-18-15(20(14)11-13)16-12-7-5-6-8-12;1-4-18(5-2)24(21,22)13-7-9-15-17-16-14(19(15)10-13)8-6-12(20)11-23-3/h5-11,14H,3-4,12-13H2,1-2H3,(H,19,21);7-8,11-12H,3-6,9-10H2,1-2H3,(H,16,18);9-12H,3-8H2,1-2H3,(H,16,18);7,9-10,12,20H,4-6,8,11H2,1-3H3/t;12-;;/m.1../s1
InChIKeyNGGPNIXFBZFEHX-CUIWIQFNSA-N
MW1420.83 g/mol
LogP6.58
Rot. Bonds30

About 3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (PubChem CID 159772274) has the molecular formula C63H93N19O11S4 and a molecular weight of 1420.83 g/mol. Its IUPAC name is 3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.

Molecular Properties

Compound Name3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
PubChem CID159772274
Molecular FormulaC63H93N19O11S4
Molecular Weight1420.83 g/mol
Exact Mass1419.62
IUPAC Name3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nnc(CCC(O)COC)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NC3CCCC3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCCc3ccccc3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NC[C@H]3CCCO3)n2c1
InChIInChI=1S/C18H23N5O2S.C15H23N5O3S.C15H23N5O2S.C15H24N4O4S/c1-3-22(4-2)26(24,25)16-10-11-17-20-21-18(23(17)14-16)19-13-12-15-8-6-5-7-9-15;1-3-19(4-2)24(21,22)13-7-8-14-17-18-15(20(14)11-13)16-10-12-6-5-9-23-12;1-3-19(4-2)23(21,22)13-9-10-14-17-18-15(20(14)11-13)16-12-7-5-6-8-12;1-4-18(5-2)24(21,22)13-7-9-15-17-16-14(19(15)10-13)8-6-12(20)11-23-3/h5-11,14H,3-4,12-13H2,1-2H3,(H,19,21);7-8,11-12H,3-6,9-10H2,1-2H3,(H,16,18);9-12H,3-8H2,1-2H3,(H,16,18);7,9-10,12,20H,4-6,8,11H2,1-3H3/t;12-;;/m.1../s1
InChIKeyNGGPNIXFBZFEHX-CUIWIQFNSA-N
XLogP6.58
TPSA345.06 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001420.83
LogP ≤ 56.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-3-[[(2R)-4-[2-[ethyl-[[3-[(2-hydroxy-3-methoxypropyl)amino]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfonyl]amino]ethyl]oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 126604249
6-(benzenesulfonyl)-N-[(1R)-1-phenylethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;6-(benzenesulfonyl)-N-[(4-pyridin-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;6-(benzenesulfonyl)-N-[(4-pyridin-2-ylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine;(1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]-1-cyclohexylethanol;2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]-1-cyclopentylethanol
CID 157050013
3-(cyclohexylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;1-cyclohexyl-2-[(6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethanol;N,N-diethyl-3-[(2-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(3-methylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[[4-(dimethylamino)phenyl]methylamino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-[(3,4-dimethylphenyl)methylamino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 158489406
(2S)-1-aminopropan-2-ol;1-(benzenesulfonyl)-5-[4-(2-methylsulfonylpyrimidin-4-yl)-1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[2,3-b]pyridine;(2S)-1-[[4-[3-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 158829200
4-[5-imidazo[1,2-a]pyridin-6-yl-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(5-methyl-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(5-methylsulfonyl-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 159103285
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
(2S)-1-[[4-[3-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol;(2S)-1-[[4-[1-(oxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 162217282
(3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol;(4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;(3R,4R)-4-[[[7-(cyclohexylmethylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;4-[[5-[[(3R,4R)-3-hydroxypiperidin-4-yl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide;(3R,4R)-4-[[[3-propan-2-yl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 162262786
(3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol;(3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;(3R,4R)-4-[[[7-(cyclohexylmethylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;4-[[5-[[(3R,4R)-3-hydroxypiperidin-4-yl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide;(3R,4R)-4-[[[3-propan-2-yl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 162262787

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The IUPAC name of 3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (CID 159772274) is 3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.
What is the SMILES notation for 3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The canonical SMILES for 3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2nnc(CCC(O)COC)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NC3CCCC3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCCc3ccccc3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NC[C@H]3CCCO3)n2c1.
What is the InChIKey of 3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The InChIKey is NGGPNIXFBZFEHX-CUIWIQFNSA-N. The full InChI is InChI=1S/C18H23N5O2S.C15H23N5O3S.C15H23N5O2S.C15H24N4O4S/c1-3-22(4-2)26(24,25)16-10-11-17-20-21-18(23(17)14-16)19-13-12-15-8-6-5-7-9-15;1-3-19(4-2)24(21,22)13-7-8-14-17-18-15(20(14)11-13)16-10-12-6-5-9-23-12;1-3-19(4-2)23(21,22)13-9-10-14-17-18-15(20(14)11-13)16-12-7-5-6-8-12;1-4-18(5-2)24(21,22)13-7-9-15-17-16-14(19(15)10-13)8-6-12(20)11-23-3/h5-11,14H,3-4,12-13H2,1-2H3,(H,19,21);7-8,11-12H,3-6,9-10H2,1-2H3,(H,16,18);9-12H,3-8H2,1-2H3,(H,16,18);7,9-10,12,20H,4-6,8,11H2,1-3H3/t;12-;;/m.1../s1.
What are the key properties of 3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide has a molecular weight of 1420.83 g/mol, XLogP of 6.58, 30 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-hydroxy-4-methoxybutyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(2R)-oxolan-2-yl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-phenylethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is sourced from PubChem (CID 159772274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).