(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-N-(2-methoxyethyl)propanamide;2-[[(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl-(2,2-dimethylpropyl)carbamic acid;4-[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]-2-tert-butylpiperazine-1-carboxylic acid;tert-butyl N-[2-[[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[(2R)-2-[[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate

C125H148Br4N38O17 — CID 175738822

About (2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-N-(2-methoxyethyl)propanamide;2-[[(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl-(2,2-dimethylpropyl)carbamic acid;4-[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]-2-tert-butylpiperazine-1-carboxylic acid;tert-butyl N-[2-[[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[(2R)-2-[[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate

(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-N-(2-methoxyethyl)propanamide;2-[[(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl-(2,2-dimethylpropyl)carbamic acid;4-[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]-2-tert-butylpiperazine-1-carboxylic acid;tert-butyl N-[2-[[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[(2R)-2-[[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate (PubChem CID 175738822) has the molecular formula C125H148Br4N38O17 and a molecular weight of 2774.42 g/mol. Its IUPAC name is (2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-N-(2-methoxyethyl)propanamide;2-[[(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl-(2,2-dimethylpropyl)carbamic acid;4-[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]-2-tert-butylpiperazine-1-carboxylic acid;tert-butyl N-[2-[[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[(2R)-2-[[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: (2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-N-(2-methoxyethyl)propanamide;2-[[(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl-(2,2-dimethylpropyl)carbamic acid;4-[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]-2-tert-butylpiperazine-1-carboxylic acid;tert-butyl N-[2-[[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[(2R)-2-[[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate
• PubChem CID: 175738822
• Molecular Formula: C125H148Br4N38O17
• Molecular Weight: 2774.42 g/mol
• Exact Mass: 2768.86
• IUPAC Name: (2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-N-(2-methoxyethyl)propanamide;2-[[(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl-(2,2-dimethylpropyl)carbamic acid;4-[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]-2-tert-butylpiperazine-1-carboxylic acid;tert-butyl N-[2-[[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[(2R)-2-[[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate
• SMILES: COCCNC(=O)[C@@H](C)Nc1nc2c(Br)cccc2c2nc(-c3ccc(OC)cc3)nn12.COc1ccc(-c2nc3c4cccc(Br)c4nc(N[C@H](C)C(=O)NCCN(CC(C)(C)C)C(=O)O)n3n2)cc1.COc1ccc(-c2nc3c4ccccc4nc(N[C@H](C)C(=O)NCCN(C)C(=O)OC(C)(C)C)n3n2)cc1.C[C@@H](Nc1nc2c(Br)cccc2c2nc(-c3cnn(C)c3)nn12)C(=O)N1CCN(C(=O)O)C(C(C)(C)C)C1.C[C@@H](Nc1nc2c(Br)cccc2c2nc(-c3cnn(C)c3)nn12)C(=O)NCCN(C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C27H32BrN7O4.C27H33N7O4.C25H30BrN9O3.C24H30BrN9O3.C22H23BrN6O3/c1-16(24(36)29-13-14-34(26(37)38)15-27(2,3)4)30-25-31-21-19(7-6-8-20(21)28)23-32-22(33-35(23)25)17-9-11-18(39-5)12-10-17;1-17(24(35)28-15-16-33(5)26(36)38-27(2,3)4)29-25-30-21-10-8-7-9-20(21)23-31-22(32-34(23)25)18-11-13-19(37-6)14-12-18;1-14(22(36)33-9-10-34(24(37)38)18(13-33)25(2,3)4)28-23-29-19-16(7-6-8-17(19)26)21-30-20(31-35(21)23)15-11-27-32(5)12-15;1-14(21(35)26-10-11-32(5)23(36)37-24(2,3)4)28-22-29-18-16(8-7-9-17(18)25)20-30-19(31-34(20)22)15-12-27-33(6)13-15;1-13(21(30)24-11-12-31-2)25-22-26-18-16(5-4-6-17(18)23)20-27-19(28-29(20)22)14-7-9-15(32-3)10-8-14/h6-12,16H,13-15H2,1-5H3,(H,29,36)(H,30,31)(H,37,38);7-14,17H,15-16H2,1-6H3,(H,28,35)(H,29,30);6-8,11-12,14,18H,9-10,13H2,1-5H3,(H,28,29)(H,37,38);7-9,12-14H,10-11H2,1-6H3,(H,26,35)(H,28,29);4-10,13H,11-12H2,1-3H3,(H,24,30)(H,25,26)/t16-;17-;14-,18?;14-;13-/m11111/s1
• InChIKey: MMTQNTVYAJDGNW-NAUSSGOFSA-N
• XLogP: 18.38
• TPSA: 624.98 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 44
• Rotatable Bonds: 36
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2774.42
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-N-(2-methoxyethyl)propanamide;2-[[(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl-(2,2-dimethylpropyl)carbamic acid;4-[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]-2-tert-butylpiperazine-1-carboxylic acid;tert-butyl N-[2-[[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[(2R)-2-[[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate?

The IUPAC name of (2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-N-(2-methoxyethyl)propanamide;2-[[(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl-(2,2-dimethylpropyl)carbamic acid;4-[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]-2-tert-butylpiperazine-1-carboxylic acid;tert-butyl N-[2-[[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[(2R)-2-[[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate (CID 175738822) is (2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-N-(2-methoxyethyl)propanamide;2-[[(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl-(2,2-dimethylpropyl)carbamic acid;4-[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]-2-tert-butylpiperazine-1-carboxylic acid;tert-butyl N-[2-[[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[(2R)-2-[[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate.

What is the SMILES notation for (2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-N-(2-methoxyethyl)propanamide;2-[[(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl-(2,2-dimethylpropyl)carbamic acid;4-[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]-2-tert-butylpiperazine-1-carboxylic acid;tert-butyl N-[2-[[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[(2R)-2-[[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate?

The canonical SMILES for (2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-N-(2-methoxyethyl)propanamide;2-[[(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl-(2,2-dimethylpropyl)carbamic acid;4-[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]-2-tert-butylpiperazine-1-carboxylic acid;tert-butyl N-[2-[[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[(2R)-2-[[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate is COCCNC(=O)[C@@H](C)Nc1nc2c(Br)cccc2c2nc(-c3ccc(OC)cc3)nn12.COc1ccc(-c2nc3c4cccc(Br)c4nc(N[C@H](C)C(=O)NCCN(CC(C)(C)C)C(=O)O)n3n2)cc1.COc1ccc(-c2nc3c4ccccc4nc(N[C@H](C)C(=O)NCCN(C)C(=O)OC(C)(C)C)n3n2)cc1.C[C@@H](Nc1nc2c(Br)cccc2c2nc(-c3cnn(C)c3)nn12)C(=O)N1CCN(C(=O)O)C(C(C)(C)C)C1.C[C@@H](Nc1nc2c(Br)cccc2c2nc(-c3cnn(C)c3)nn12)C(=O)NCCN(C)C(=O)OC(C)(C)C.

What is the InChIKey of (2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-N-(2-methoxyethyl)propanamide;2-[[(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl-(2,2-dimethylpropyl)carbamic acid;4-[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]-2-tert-butylpiperazine-1-carboxylic acid;tert-butyl N-[2-[[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[(2R)-2-[[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate?

The InChIKey is MMTQNTVYAJDGNW-NAUSSGOFSA-N. The full InChI is InChI=1S/C27H32BrN7O4.C27H33N7O4.C25H30BrN9O3.C24H30BrN9O3.C22H23BrN6O3/c1-16(24(36)29-13-14-34(26(37)38)15-27(2,3)4)30-25-31-21-19(7-6-8-20(21)28)23-32-22(33-35(23)25)17-9-11-18(39-5)12-10-17;1-17(24(35)28-15-16-33(5)26(36)38-27(2,3)4)29-25-30-21-10-8-7-9-20(21)23-31-22(32-34(23)25)18-11-13-19(37-6)14-12-18;1-14(22(36)33-9-10-34(24(37)38)18(13-33)25(2,3)4)28-23-29-19-16(7-6-8-17(19)26)21-30-20(31-35(21)23)15-11-27-32(5)12-15;1-14(21(35)26-10-11-32(5)23(36)37-24(2,3)4)28-22-29-18-16(8-7-9-17(18)25)20-30-19(31-34(20)22)15-12-27-33(6)13-15;1-13(21(30)24-11-12-31-2)25-22-26-18-16(5-4-6-17(18)23)20-27-19(28-29(20)22)14-7-9-15(32-3)10-8-14/h6-12,16H,13-15H2,1-5H3,(H,29,36)(H,30,31)(H,37,38);7-14,17H,15-16H2,1-6H3,(H,28,35)(H,29,30);6-8,11-12,14,18H,9-10,13H2,1-5H3,(H,28,29)(H,37,38);7-9,12-14H,10-11H2,1-6H3,(H,26,35)(H,28,29);4-10,13H,11-12H2,1-3H3,(H,24,30)(H,25,26)/t16-;17-;14-,18?;14-;13-/m11111/s1.

What are the key properties of (2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-N-(2-methoxyethyl)propanamide;2-[[(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl-(2,2-dimethylpropyl)carbamic acid;4-[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]-2-tert-butylpiperazine-1-carboxylic acid;tert-butyl N-[2-[[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[(2R)-2-[[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate?

(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-N-(2-methoxyethyl)propanamide;2-[[(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl-(2,2-dimethylpropyl)carbamic acid;4-[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]-2-tert-butylpiperazine-1-carboxylic acid;tert-butyl N-[2-[[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[(2R)-2-[[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate has a molecular weight of 2774.42 g/mol, XLogP of 18.38, 36 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-N-(2-methoxyethyl)propanamide;2-[[(2R)-2-[[7-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl-(2,2-dimethylpropyl)carbamic acid;4-[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]-2-tert-butylpiperazine-1-carboxylic acid;tert-butyl N-[2-[[(2R)-2-[[7-bromo-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate;tert-butyl N-[2-[[(2R)-2-[[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanoyl]amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 175738822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).