2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methane;naphthalen-1-ylmethyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate

C135H192N26O19 — CID 161007605

About 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methane;naphthalen-1-ylmethyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate

2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methane;naphthalen-1-ylmethyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (PubChem CID 161007605) has the molecular formula C135H192N26O19 and a molecular weight of 2483.18 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methane;naphthalen-1-ylmethyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.

Molecular Properties

• Compound Name: 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methane;naphthalen-1-ylmethyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
• PubChem CID: 161007605
• Molecular Formula: C135H192N26O19
• Molecular Weight: 2483.18 g/mol
• Exact Mass: 2481.49
• IUPAC Name: 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methane;naphthalen-1-ylmethyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
• SMILES: C.C.C.C.C.C.C.C.C.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)N3CC[C@@H](O)C3)n12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)NCCCO)n12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2c(OCc3ccccc3)cccn12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2n1CCCC2.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2n1CCN(C(=O)OCc1cccc3ccccc13)C2
• InChI: InChI=1S/C30H34N6O4.C26H33N5O5.C26H29N5O3.C25H33N5O5.C19H27N5O2.9CH4/c1-30(2,31)28(37)32-25(20-39-18-21-9-4-3-5-10-21)27-34-33-26-17-35(15-16-36(26)27)29(38)40-19-23-13-8-12-22-11-6-7-14-24(22)23;1-26(2,27)24(33)29-22(17-35-15-18-7-4-3-5-8-18)23-28-13-19-9-6-10-20(31(19)23)16-36-25(34)30-12-11-21(32)14-30;1-26(2,27)25(32)28-21(18-33-16-19-10-5-3-6-11-19)23-29-30-24-22(14-9-15-31(23)24)34-17-20-12-7-4-8-13-20;1-25(2,26)23(32)29-21(17-34-15-18-8-4-3-5-9-18)22-28-14-19-10-6-11-20(30(19)22)16-35-24(33)27-12-7-13-31;1-19(2,20)18(25)21-15(13-26-12-14-8-4-3-5-9-14)17-23-22-16-10-6-7-11-24(16)17;;;;;;;;;/h3-14,25H,15-20,31H2,1-2H3,(H,32,37);3-10,13,21-22,32H,11-12,14-17,27H2,1-2H3,(H,29,33);3-15,21H,16-18,27H2,1-2H3,(H,28,32);3-6,8-11,14,21,31H,7,12-13,15-17,26H2,1-2H3,(H,27,33)(H,29,32);3-5,8-9,15H,6-7,10-13,20H2,1-2H3,(H,21,25);9*1H4/t25-;21-,22-;2*21-;15-;;;;;;;;;/m11111........./s1
• InChIKey: TWSBVKHRVRYYMW-OTEVAFPOSA-N
• XLogP: 18.77
• TPSA: 595.06 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 37
• Rotatable Bonds: 47
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2483.18
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methane;naphthalen-1-ylmethyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?

The IUPAC name of 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methane;naphthalen-1-ylmethyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (CID 161007605) is 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methane;naphthalen-1-ylmethyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.

What is the SMILES notation for 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methane;naphthalen-1-ylmethyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?

The canonical SMILES for 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methane;naphthalen-1-ylmethyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is C.C.C.C.C.C.C.C.C.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)N3CC[C@@H](O)C3)n12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)NCCCO)n12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2c(OCc3ccccc3)cccn12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2n1CCCC2.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2n1CCN(C(=O)OCc1cccc3ccccc13)C2.

What is the InChIKey of 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methane;naphthalen-1-ylmethyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?

The InChIKey is TWSBVKHRVRYYMW-OTEVAFPOSA-N. The full InChI is InChI=1S/C30H34N6O4.C26H33N5O5.C26H29N5O3.C25H33N5O5.C19H27N5O2.9CH4/c1-30(2,31)28(37)32-25(20-39-18-21-9-4-3-5-10-21)27-34-33-26-17-35(15-16-36(26)27)29(38)40-19-23-13-8-12-22-11-6-7-14-24(22)23;1-26(2,27)24(33)29-22(17-35-15-18-7-4-3-5-8-18)23-28-13-19-9-6-10-20(31(19)23)16-36-25(34)30-12-11-21(32)14-30;1-26(2,27)25(32)28-21(18-33-16-19-10-5-3-6-11-19)23-29-30-24-22(14-9-15-31(23)24)34-17-20-12-7-4-8-13-20;1-25(2,26)23(32)29-21(17-34-15-18-8-4-3-5-9-18)22-28-14-19-10-6-11-20(30(19)22)16-35-24(33)27-12-7-13-31;1-19(2,20)18(25)21-15(13-26-12-14-8-4-3-5-9-14)17-23-22-16-10-6-7-11-24(16)17;;;;;;;;;/h3-14,25H,15-20,31H2,1-2H3,(H,32,37);3-10,13,21-22,32H,11-12,14-17,27H2,1-2H3,(H,29,33);3-15,21H,16-18,27H2,1-2H3,(H,28,32);3-6,8-11,14,21,31H,7,12-13,15-17,26H2,1-2H3,(H,27,33)(H,29,32);3-5,8-9,15H,6-7,10-13,20H2,1-2H3,(H,21,25);9*1H4/t25-;21-,22-;2*21-;15-;;;;;;;;;/m11111........./s1.

What are the key properties of 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methane;naphthalen-1-ylmethyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?

2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methane;naphthalen-1-ylmethyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate has a molecular weight of 2483.18 g/mol, XLogP of 18.77, 47 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methane;naphthalen-1-ylmethyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is sourced from PubChem (CID 161007605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).