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

C107H102N22O12S5 — CID 157050013

About 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

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 (PubChem CID 157050013) has the molecular formula C107H102N22O12S5 and a molecular weight of 2048.47 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157050013
• Molecular Formula: C107H102N22O12S5
• Molecular Weight: 2048.47 g/mol
• Exact Mass: 2046.67
• IUPAC Name: 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
• SMILES: C[C@@H](Nc1nc2ccc(S(=O)(=O)c3ccccc3)cn2n1)c1ccccc1.O=S(=O)(c1ccccc1)c1ccc2nc(NCc3ccc(-c4ccccn4)cc3)nn2c1.O=S(=O)(c1ccccc1)c1ccc2nnc(NCC(O)C3CCCC3)n2c1.O=S(=O)(c1ccccc1)c1ccc2nnc(NC[C@H](O)C3CCCCC3)n2c1.O=S(=O)(c1ccccc1)c1ccc2nnc(NCc3ccc(-c4ccccn4)cc3)n2c1
• InChI: InChI=1S/2C24H19N5O2S.C20H24N4O3S.C20H18N4O2S.C19H22N4O3S/c30-32(31,20-6-2-1-3-7-20)21-13-14-23-27-28-24(29(23)17-21)26-16-18-9-11-19(12-10-18)22-8-4-5-15-25-22;30-32(31,20-6-2-1-3-7-20)21-13-14-23-27-24(28-29(23)17-21)26-16-18-9-11-19(12-10-18)22-8-4-5-15-25-22;25-18(15-7-3-1-4-8-15)13-21-20-23-22-19-12-11-17(14-24(19)20)28(26,27)16-9-5-2-6-10-16;1-15(16-8-4-2-5-9-16)21-20-22-19-13-12-18(14-24(19)23-20)27(25,26)17-10-6-3-7-11-17;24-17(14-6-4-5-7-14)12-20-19-22-21-18-11-10-16(13-23(18)19)27(25,26)15-8-2-1-3-9-15/h2*1-15,17H,16H2,(H,26,28);2,5-6,9-12,14-15,18,25H,1,3-4,7-8,13H2,(H,21,23);2-15H,1H3,(H,21,23);1-3,8-11,13-14,17,24H,4-7,12H2,(H,20,22)/t;;18-;15-;/m..01./s1
• InChIKey: AABWSCNAGRSYDC-QJQQSDCPSA-N
• XLogP: 17.65
• TPSA: 448.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2048.47
LogP ≤ 5	17.65
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C[C@@H](Nc1nc2ccc(S(=O)(=O)c3ccccc3)cn2n1)c1ccccc1.O=S(=O)(c1ccccc1)c1ccc2nc(NCc3ccc(-c4ccccn4)cc3)nn2c1.O=S(=O)(c1ccccc1)c1ccc2nnc(NCC(O)C3CCCC3)n2c1.O=S(=O)(c1ccccc1)c1ccc2nnc(NC[C@H](O)C3CCCCC3)n2c1.O=S(=O)(c1ccccc1)c1ccc2nnc(NCc3ccc(-c4ccccn4)cc3)n2c1.

What is the InChIKey of 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?

The InChIKey is AABWSCNAGRSYDC-QJQQSDCPSA-N. The full InChI is InChI=1S/2C24H19N5O2S.C20H24N4O3S.C20H18N4O2S.C19H22N4O3S/c30-32(31,20-6-2-1-3-7-20)21-13-14-23-27-28-24(29(23)17-21)26-16-18-9-11-19(12-10-18)22-8-4-5-15-25-22;30-32(31,20-6-2-1-3-7-20)21-13-14-23-27-24(28-29(23)17-21)26-16-18-9-11-19(12-10-18)22-8-4-5-15-25-22;25-18(15-7-3-1-4-8-15)13-21-20-23-22-19-12-11-17(14-24(19)20)28(26,27)16-9-5-2-6-10-16;1-15(16-8-4-2-5-9-16)21-20-22-19-13-12-18(14-24(19)23-20)27(25,26)17-10-6-3-7-11-17;24-17(14-6-4-5-7-14)12-20-19-22-21-18-11-10-16(13-23(18)19)27(25,26)15-8-2-1-3-9-15/h2*1-15,17H,16H2,(H,26,28);2,5-6,9-12,14-15,18,25H,1,3-4,7-8,13H2,(H,21,23);2-15H,1H3,(H,21,23);1-3,8-11,13-14,17,24H,4-7,12H2,(H,20,22)/t;;18-;15-;/m..01./s1.

What are the key properties of 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?

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 has a molecular weight of 2048.47 g/mol, XLogP of 17.65, 29 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157050013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).