2-amino-N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide

C100H112BrF4N27O10 — CID 160873135

About 2-amino-N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide

2-amino-N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide (PubChem CID 160873135) has the molecular formula C100H112BrF4N27O10 and a molecular weight of 2008.07 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: 2-amino-N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide
• PubChem CID: 160873135
• Molecular Formula: C100H112BrF4N27O10
• Molecular Weight: 2008.07 g/mol
• Exact Mass: 2005.82
• IUPAC Name: 2-amino-N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide
• SMILES: CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2c(O)cc(Br)cn12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C#N)cn12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C(F)(F)F)cn12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(F)cn12.Cc1ccc2nnc([C@@H](Cc3ccc4ccccc4n3)NC(=O)C(C)(C)N)n2c1
• InChI: InChI=1S/C22H24N6O.C20H22F3N5O2.C20H22N6O2.C19H22BrN5O3.C19H22FN5O2/c1-14-8-11-19-26-27-20(28(19)13-14)18(25-21(29)22(2,3)23)12-16-10-9-15-6-4-5-7-17(15)24-16;1-19(2,24)18(29)25-15(12-30-11-13-6-4-3-5-7-13)17-27-26-16-9-8-14(10-28(16)17)20(21,22)23;1-20(2,22)19(27)23-16(13-28-12-14-6-4-3-5-7-14)18-25-24-17-9-8-15(10-21)11-26(17)18;1-19(2,21)18(27)22-14(11-28-10-12-6-4-3-5-7-12)16-23-24-17-15(26)8-13(20)9-25(16)17;1-19(2,21)18(26)22-15(12-27-11-13-6-4-3-5-7-13)17-24-23-16-9-8-14(20)10-25(16)17/h4-11,13,18H,12,23H2,1-3H3,(H,25,29);3-10,15H,11-12,24H2,1-2H3,(H,25,29);3-9,11,16H,12-13,22H2,1-2H3,(H,23,27);3-9,14,26H,10-11,21H2,1-2H3,(H,22,27);3-10,15H,11-12,21H2,1-2H3,(H,22,26)/t18-;15-;16-;14-;15-/m11111/s1
• InChIKey: SMAFRQCTCNZRCG-IAGPFSFSSA-N
• XLogP: 11.58
• TPSA: 520.38 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 33
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2008.07
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide?

The IUPAC name of 2-amino-N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide (CID 160873135) is 2-amino-N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide.

What is the SMILES notation for 2-amino-N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide?

The canonical SMILES for 2-amino-N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2c(O)cc(Br)cn12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C#N)cn12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C(F)(F)F)cn12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(F)cn12.Cc1ccc2nnc([C@@H](Cc3ccc4ccccc4n3)NC(=O)C(C)(C)N)n2c1.

What is the InChIKey of 2-amino-N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide?

The InChIKey is SMAFRQCTCNZRCG-IAGPFSFSSA-N. The full InChI is InChI=1S/C22H24N6O.C20H22F3N5O2.C20H22N6O2.C19H22BrN5O3.C19H22FN5O2/c1-14-8-11-19-26-27-20(28(19)13-14)18(25-21(29)22(2,3)23)12-16-10-9-15-6-4-5-7-17(15)24-16;1-19(2,24)18(29)25-15(12-30-11-13-6-4-3-5-7-13)17-27-26-16-9-8-14(10-28(16)17)20(21,22)23;1-20(2,22)19(27)23-16(13-28-12-14-6-4-3-5-7-14)18-25-24-17-9-8-15(10-21)11-26(17)18;1-19(2,21)18(27)22-14(11-28-10-12-6-4-3-5-7-12)16-23-24-17-15(26)8-13(20)9-25(16)17;1-19(2,21)18(26)22-15(12-27-11-13-6-4-3-5-7-13)17-24-23-16-9-8-14(20)10-25(16)17/h4-11,13,18H,12,23H2,1-3H3,(H,25,29);3-10,15H,11-12,24H2,1-2H3,(H,25,29);3-9,11,16H,12-13,22H2,1-2H3,(H,23,27);3-9,14,26H,10-11,21H2,1-2H3,(H,22,27);3-10,15H,11-12,21H2,1-2H3,(H,22,26)/t18-;15-;16-;14-;15-/m11111/s1.

What are the key properties of 2-amino-N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide?

2-amino-N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide has a molecular weight of 2008.07 g/mol, XLogP of 11.58, 33 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1S)-1-(6-bromo-8-hydroxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1R)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-quinolin-2-ylethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide is sourced from PubChem (CID 160873135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).