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

C104H138FN31O13S6 — CID 159158113

About 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

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 (PubChem CID 159158113) has the molecular formula C104H138FN31O13S6 and a molecular weight of 2241.85 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159158113
• Molecular Formula: C104H138FN31O13S6
• Molecular Weight: 2241.85 g/mol
• Exact Mass: 2239.94
• IUPAC Name: 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
• SMILES: CC(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cn2n1)c1ccccc1.CCN(CC)S(=O)(=O)c1ccc2nnc(NC(C)CC(C)C)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCC3CCCO3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCc3cccnc3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(N[C@H](C)c3ccc(F)cc3)n2c1.O=S(=O)(c1ccc2nc(NC3Cc4ccccc4C3)nn2c1)N1CCCCC1
• InChI: InChI=1S/C20H23N5O2S.C19H23N5O2S.C18H22FN5O2S.C16H20N6O2S.C16H27N5O2S.C15H23N5O3S/c26-28(27,24-10-4-1-5-11-24)18-8-9-19-22-20(23-25(19)14-18)21-17-12-15-6-2-3-7-16(15)13-17;1-15(16-8-4-2-5-9-16)20-19-21-18-11-10-17(14-24(18)22-19)27(25,26)23-12-6-3-7-13-23;1-4-23(5-2)27(25,26)16-10-11-17-21-22-18(24(17)12-16)20-13(3)14-6-8-15(19)9-7-14;1-3-21(4-2)25(23,24)14-7-8-15-19-20-16(22(15)12-14)18-11-13-6-5-9-17-10-13;1-6-20(7-2)24(22,23)14-8-9-15-18-19-16(21(15)11-14)17-13(5)10-12(3)4;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/h2-3,6-9,14,17H,1,4-5,10-13H2,(H,21,23);2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,20,22);6-13H,4-5H2,1-3H3,(H,20,22);5-10,12H,3-4,11H2,1-2H3,(H,18,20);8-9,11-13H,6-7,10H2,1-5H3,(H,17,19);7-8,11-12H,3-6,9-10H2,1-2H3,(H,16,18)/t;;13-;;;/m..1.../s1
• InChIKey: KKDKRBIJUDXMIU-IEUDWUHUSA-N
• XLogP: 14.36
• TPSA: 499.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 38
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2241.85
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cn2n1)c1ccccc1.CCN(CC)S(=O)(=O)c1ccc2nnc(NC(C)CC(C)C)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCC3CCCO3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCc3cccnc3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(N[C@H](C)c3ccc(F)cc3)n2c1.O=S(=O)(c1ccc2nc(NC3Cc4ccccc4C3)nn2c1)N1CCCCC1.

What is the InChIKey of 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?

The InChIKey is KKDKRBIJUDXMIU-IEUDWUHUSA-N. The full InChI is InChI=1S/C20H23N5O2S.C19H23N5O2S.C18H22FN5O2S.C16H20N6O2S.C16H27N5O2S.C15H23N5O3S/c26-28(27,24-10-4-1-5-11-24)18-8-9-19-22-20(23-25(19)14-18)21-17-12-15-6-2-3-7-16(15)13-17;1-15(16-8-4-2-5-9-16)20-19-21-18-11-10-17(14-24(18)22-19)27(25,26)23-12-6-3-7-13-23;1-4-23(5-2)27(25,26)16-10-11-17-21-22-18(24(17)12-16)20-13(3)14-6-8-15(19)9-7-14;1-3-21(4-2)25(23,24)14-7-8-15-19-20-16(22(15)12-14)18-11-13-6-5-9-17-10-13;1-6-20(7-2)24(22,23)14-8-9-15-18-19-16(21(15)11-14)17-13(5)10-12(3)4;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/h2-3,6-9,14,17H,1,4-5,10-13H2,(H,21,23);2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,20,22);6-13H,4-5H2,1-3H3,(H,20,22);5-10,12H,3-4,11H2,1-2H3,(H,18,20);8-9,11-13H,6-7,10H2,1-5H3,(H,17,19);7-8,11-12H,3-6,9-10H2,1-2H3,(H,16,18)/t;;13-;;;/m..1.../s1.

What are the key properties of 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?

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 has a molecular weight of 2241.85 g/mol, XLogP of 14.36, 38 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159158113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).