[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[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;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

C141H189N27O20 — CID 158341498

About [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[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;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

[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[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;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 158341498) has the molecular formula C141H189N27O20 and a molecular weight of 2582.23 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,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;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: [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[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;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: 158341498
• Molecular Formula: C141H189N27O20
• Molecular Weight: 2582.23 g/mol
• Exact Mass: 2580.46
• IUPAC Name: [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[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;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.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)c1nnc2n1CCN(C(=O)OCc1cccc3ccccc13)C2.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/C30H34N6O4.C27H36N6O4.C27H30N4O3.C26H34N6O5.C26H35N5O4.5CH4/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;1-19(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;1-17(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;;;;;/h3-14,25H,15-20,31H2,1-2H3,(H,32,37);4,6-7,10-14,19,23H,5,8-9,15-18,28H2,1-3H3,(H,29,34);4-16,22H,17-19H2,1-3H3,(H,28,32);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);5*1H4/t25-;19-,23-;22-;18-,22-;22-;;;;;/m11111...../s1
• InChIKey: GRFHLJLJJKZXAJ-SSHDQYSKSA-N
• XLogP: 20.81
• TPSA: 587.56 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 50
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2582.23
LogP ≤ 5	20.81
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

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,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;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 [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[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;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 158341498) is [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[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;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 [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[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;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 [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[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;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.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)c1nnc2n1CCN(C(=O)OCc1cccc3ccccc13)C2.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,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;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 GRFHLJLJJKZXAJ-SSHDQYSKSA-N. The full InChI is InChI=1S/C30H34N6O4.C27H36N6O4.C27H30N4O3.C26H34N6O5.C26H35N5O4.5CH4/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;1-19(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;1-17(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;;;;;/h3-14,25H,15-20,31H2,1-2H3,(H,32,37);4,6-7,10-14,19,23H,5,8-9,15-18,28H2,1-3H3,(H,29,34);4-16,22H,17-19H2,1-3H3,(H,28,32);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);5*1H4/t25-;19-,23-;22-;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,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;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?

[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;[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;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 2582.23 g/mol, XLogP of 20.81, 50 rotatable bonds, 10 hydrogen bond donors, and 38 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,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;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 158341498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).