[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate;2,2-dimethyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

C132H168N28O21 — CID 161063704

About [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate;2,2-dimethyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[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-butylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate;2,2-dimethyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (PubChem CID 161063704) has the molecular formula C132H168N28O21 and a molecular weight of 2482.97 g/mol. Its IUPAC name is [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate;2,2-dimethyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate;2,2-dimethyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
• PubChem CID: 161063704
• Molecular Formula: C132H168N28O21
• Molecular Weight: 2482.97 g/mol
• Exact Mass: 2481.29
• IUPAC Name: [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate;2,2-dimethyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
• SMILES: CC(=O)CN(C)C(=O)OCc1cccc2nnc([C@H](NC(=O)C(C)(C)N)[C@@H](C)OCc3ccccc3)n12.CC(C)(C)C(=O)N[C@H](COCc1ccccc1)c1nnc2c(OCc3ccccc3)cccn12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2cccc(COC(=O)N3CCC[C@@H]3C(N)=O)n12.CCCCNC(=O)OCc1cccc2cnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.C[C@@H](OCc1ccccc1)[C@@H](NC(=O)C(C)(C)N)c1nnc2cccc(COC(=O)N3CCCCC3)n12
• InChI: InChI=1S/C27H36N6O4.C27H30N4O3.C26H33N7O5.C26H34N6O5.C26H35N5O4/c1-19(36-17-20-11-6-4-7-12-20)23(29-25(34)27(2,3)28)24-31-30-22-14-10-13-21(33(22)24)18-37-26(35)32-15-8-5-9-16-32;1-27(2,3)26(32)28-22(19-33-17-20-11-6-4-7-12-20)24-29-30-25-23(15-10-16-31(24)25)34-18-21-13-8-5-9-14-21;1-26(2,28)24(35)29-19(16-37-14-17-8-4-3-5-9-17)23-31-30-21-12-6-10-18(33(21)23)15-38-25(36)32-13-7-11-20(32)22(27)34;1-17(33)14-31(5)25(35)37-16-20-12-9-13-21-29-30-23(32(20)21)22(28-24(34)26(3,4)27)18(2)36-15-19-10-7-6-8-11-19;1-4-5-14-28-25(33)35-17-21-13-9-12-20-15-29-23(31(20)21)22(30-24(32)26(2,3)27)18-34-16-19-10-7-6-8-11-19/h4,6-7,10-14,19,23H,5,8-9,15-18,28H2,1-3H3,(H,29,34);4-16,22H,17-19H2,1-3H3,(H,28,32);3-6,8-10,12,19-20H,7,11,13-16,28H2,1-2H3,(H2,27,34)(H,29,35);6-13,18,22H,14-16,27H2,1-5H3,(H,28,34);6-13,15,22H,4-5,14,16-18,27H2,1-3H3,(H,28,33)(H,30,32)/t19-,23-;22-;19-,20-;18-,22-;22-/m11111/s1
• InChIKey: UDSSIMKTGOGXCR-HGUBNTNPSA-N
• XLogP: 15.37
• TPSA: 630.13 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 51
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2482.97
LogP ≤ 5	15.37
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

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 [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate;2,2-dimethyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?

The IUPAC name of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate;2,2-dimethyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (CID 161063704) is [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate;2,2-dimethyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

What is the SMILES notation for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate;2,2-dimethyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?

The canonical SMILES for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate;2,2-dimethyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is CC(=O)CN(C)C(=O)OCc1cccc2nnc([C@H](NC(=O)C(C)(C)N)[C@@H](C)OCc3ccccc3)n12.CC(C)(C)C(=O)N[C@H](COCc1ccccc1)c1nnc2c(OCc3ccccc3)cccn12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2cccc(COC(=O)N3CCC[C@@H]3C(N)=O)n12.CCCCNC(=O)OCc1cccc2cnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.C[C@@H](OCc1ccccc1)[C@@H](NC(=O)C(C)(C)N)c1nnc2cccc(COC(=O)N3CCCCC3)n12.

What is the InChIKey of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate;2,2-dimethyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?

The InChIKey is UDSSIMKTGOGXCR-HGUBNTNPSA-N. The full InChI is InChI=1S/C27H36N6O4.C27H30N4O3.C26H33N7O5.C26H34N6O5.C26H35N5O4/c1-19(36-17-20-11-6-4-7-12-20)23(29-25(34)27(2,3)28)24-31-30-22-14-10-13-21(33(22)24)18-37-26(35)32-15-8-5-9-16-32;1-27(2,3)26(32)28-22(19-33-17-20-11-6-4-7-12-20)24-29-30-25-23(15-10-16-31(24)25)34-18-21-13-8-5-9-14-21;1-26(2,28)24(35)29-19(16-37-14-17-8-4-3-5-9-17)23-31-30-21-12-6-10-18(33(21)23)15-38-25(36)32-13-7-11-20(32)22(27)34;1-17(33)14-31(5)25(35)37-16-20-12-9-13-21-29-30-23(32(20)21)22(28-24(34)26(3,4)27)18(2)36-15-19-10-7-6-8-11-19;1-4-5-14-28-25(33)35-17-21-13-9-12-20-15-29-23(31(20)21)22(30-24(32)26(2,3)27)18-34-16-19-10-7-6-8-11-19/h4,6-7,10-14,19,23H,5,8-9,15-18,28H2,1-3H3,(H,29,34);4-16,22H,17-19H2,1-3H3,(H,28,32);3-6,8-10,12,19-20H,7,11,13-16,28H2,1-2H3,(H2,27,34)(H,29,35);6-13,18,22H,14-16,27H2,1-5H3,(H,28,34);6-13,15,22H,4-5,14,16-18,27H2,1-3H3,(H,28,33)(H,30,32)/t19-,23-;22-;19-,20-;18-,22-;22-/m11111/s1.

What are the key properties of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate;2,2-dimethyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[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-butylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate;2,2-dimethyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide has a molecular weight of 2482.97 g/mol, XLogP of 15.37, 51 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S,2R)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate;2,2-dimethyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is sourced from PubChem (CID 161063704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).