2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide

C104H125F4N25O11 — CID 159592841

About 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide

2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide (PubChem CID 159592841) has the molecular formula C104H125F4N25O11 and a molecular weight of 1977.30 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide.

Molecular Properties

• Compound Name: 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide
• PubChem CID: 159592841
• Molecular Formula: C104H125F4N25O11
• Molecular Weight: 1977.30 g/mol
• Exact Mass: 1975.99
• IUPAC Name: 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide
• SMILES: C#Cc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C(C)(F)F)cn12.COc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.Cc1cc(C(C)(F)F)cc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.Cc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1
• InChI: InChI=1S/C22H27F2N5O2.C21H25F2N5O2.C21H23N5O2.C20H25N5O3.C20H25N5O2/c1-14-10-16(22(4,23)24)11-18-27-28-19(29(14)18)17(26-20(30)21(2,3)25)13-31-12-15-8-6-5-7-9-15;1-20(2,24)19(29)25-16(13-30-12-14-7-5-4-6-8-14)18-27-26-17-10-9-15(11-28(17)18)21(3,22)23;1-4-15-10-11-18-24-25-19(26(18)12-15)17(23-20(27)21(2,3)22)14-28-13-16-8-6-5-7-9-16;1-20(2,21)19(26)22-16(13-28-12-14-7-5-4-6-8-14)18-24-23-17-10-9-15(27-3)11-25(17)18;1-14-9-10-17-23-24-18(25(17)11-14)16(22-19(26)20(2,3)21)13-27-12-15-7-5-4-6-8-15/h5-11,17H,12-13,25H2,1-4H3,(H,26,30);4-11,16H,12-13,24H2,1-3H3,(H,25,29);1,5-12,17H,13-14,22H2,2-3H3,(H,23,27);4-11,16H,12-13,21H2,1-3H3,(H,22,26);4-11,16H,12-13,21H2,1-3H3,(H,22,26)/t17-;16-;17-;2*16-/m11111/s1
• InChIKey: MKLOSAAIPCCGIT-OLHAKUFKSA-N
• XLogP: 12.03
• TPSA: 481.93 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 38
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1977.30
LogP ≤ 5	12.03
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide?

The IUPAC name of 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide (CID 159592841) is 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide.

What is the SMILES notation for 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide?

The canonical SMILES for 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide is C#Cc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C(C)(F)F)cn12.COc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.Cc1cc(C(C)(F)F)cc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.Cc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.

What is the InChIKey of 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide?

The InChIKey is MKLOSAAIPCCGIT-OLHAKUFKSA-N. The full InChI is InChI=1S/C22H27F2N5O2.C21H25F2N5O2.C21H23N5O2.C20H25N5O3.C20H25N5O2/c1-14-10-16(22(4,23)24)11-18-27-28-19(29(14)18)17(26-20(30)21(2,3)25)13-31-12-15-8-6-5-7-9-15;1-20(2,24)19(29)25-16(13-30-12-14-7-5-4-6-8-14)18-27-26-17-10-9-15(11-28(17)18)21(3,22)23;1-4-15-10-11-18-24-25-19(26(18)12-15)17(23-20(27)21(2,3)22)14-28-13-16-8-6-5-7-9-16;1-20(2,21)19(26)22-16(13-28-12-14-7-5-4-6-8-14)18-24-23-17-10-9-15(27-3)11-25(17)18;1-14-9-10-17-23-24-18(25(17)11-14)16(22-19(26)20(2,3)21)13-27-12-15-7-5-4-6-8-15/h5-11,17H,12-13,25H2,1-4H3,(H,26,30);4-11,16H,12-13,24H2,1-3H3,(H,25,29);1,5-12,17H,13-14,22H2,2-3H3,(H,23,27);4-11,16H,12-13,21H2,1-3H3,(H,22,26);4-11,16H,12-13,21H2,1-3H3,(H,22,26)/t17-;16-;17-;2*16-/m11111/s1.

What are the key properties of 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide?

2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide has a molecular weight of 1977.30 g/mol, XLogP of 12.03, 38 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1S)-1-[7-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[6-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide is sourced from PubChem (CID 159592841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).