2-[2-[cyclopropyl(methyl)amino]-4-pyridinyl]-N-[1-[4-[[[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]-3-propan-2-ylpyrazol-4-yl]-1,3-oxazole-4-carboxamide

C48H63N11O6 — CID 146598415

About 2-[2-[cyclopropyl(methyl)amino]-4-pyridinyl]-N-[1-[4-[[[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]-3-propan-2-ylpyrazol-4-yl]-1,3-oxazole-4-carboxamide

2-[2-[cyclopropyl(methyl)amino]-4-pyridinyl]-N-[1-[4-[[[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]-3-propan-2-ylpyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 146598415) has the molecular formula C48H63N11O6 and a molecular weight of 890.10 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]-4-pyridinyl]-N-[1-[4-[[[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]-3-propan-2-ylpyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-[cyclopropyl(methyl)amino]-4-pyridinyl]-N-[1-[4-[[[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]-3-propan-2-ylpyrazol-4-yl]-1,3-oxazole-4-carboxamide
• PubChem CID: 146598415
• Molecular Formula: C48H63N11O6
• Molecular Weight: 890.10 g/mol
• Exact Mass: 889.50
• IUPAC Name: 2-[2-[cyclopropyl(methyl)amino]-4-pyridinyl]-N-[1-[4-[[[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]-3-propan-2-ylpyrazol-4-yl]-1,3-oxazole-4-carboxamide
• SMILES: CC(C)c1nn(C2CCC(CN(C)C[C@@H]3CN(CCCc4ccc5c(c4)n(C)c(=O)n5C4CCC(=O)NC4=O)CCO3)CC2)cc1NC(=O)c1coc(-c2ccnc(N(C)C3CC3)c2)n1
• InChI: InChI=1S/C48H63N11O6/c1-30(2)44-37(50-45(61)38-29-65-47(51-38)33-18-19-49-42(24-33)55(4)34-13-14-34)28-58(53-44)35-11-8-32(9-12-35)25-54(3)26-36-27-57(21-22-64-36)20-6-7-31-10-15-39-41(23-31)56(5)48(63)59(39)40-16-17-43(60)52-46(40)62/h10,15,18-19,23-24,28-30,32,34-36,40H,6-9,11-14,16-17,20-22,25-27H2,1-5H3,(H,50,61)(H,52,60,62)/t32?,35?,36-,40?/m1/s1
• InChIKey: BTLCRYCGVUYRSK-IZBPAAPOSA-N
• XLogP: 5.54
• TPSA: 177.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	890.10
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]-4-pyridinyl]-N-[1-[4-[[[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]-3-propan-2-ylpyrazol-4-yl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]-4-pyridinyl]-N-[1-[4-[[[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]-3-propan-2-ylpyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 146598415) is 2-[2-[cyclopropyl(methyl)amino]-4-pyridinyl]-N-[1-[4-[[[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]-3-propan-2-ylpyrazol-4-yl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]-4-pyridinyl]-N-[1-[4-[[[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]-3-propan-2-ylpyrazol-4-yl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]-4-pyridinyl]-N-[1-[4-[[[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]-3-propan-2-ylpyrazol-4-yl]-1,3-oxazole-4-carboxamide is CC(C)c1nn(C2CCC(CN(C)C[C@@H]3CN(CCCc4ccc5c(c4)n(C)c(=O)n5C4CCC(=O)NC4=O)CCO3)CC2)cc1NC(=O)c1coc(-c2ccnc(N(C)C3CC3)c2)n1.

What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]-4-pyridinyl]-N-[1-[4-[[[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]-3-propan-2-ylpyrazol-4-yl]-1,3-oxazole-4-carboxamide?

The InChIKey is BTLCRYCGVUYRSK-IZBPAAPOSA-N. The full InChI is InChI=1S/C48H63N11O6/c1-30(2)44-37(50-45(61)38-29-65-47(51-38)33-18-19-49-42(24-33)55(4)34-13-14-34)28-58(53-44)35-11-8-32(9-12-35)25-54(3)26-36-27-57(21-22-64-36)20-6-7-31-10-15-39-41(23-31)56(5)48(63)59(39)40-16-17-43(60)52-46(40)62/h10,15,18-19,23-24,28-30,32,34-36,40H,6-9,11-14,16-17,20-22,25-27H2,1-5H3,(H,50,61)(H,52,60,62)/t32?,35?,36-,40?/m1/s1.

What are the key properties of 2-[2-[cyclopropyl(methyl)amino]-4-pyridinyl]-N-[1-[4-[[[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]-3-propan-2-ylpyrazol-4-yl]-1,3-oxazole-4-carboxamide?

2-[2-[cyclopropyl(methyl)amino]-4-pyridinyl]-N-[1-[4-[[[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]-3-propan-2-ylpyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 890.10 g/mol, XLogP of 5.54, 16 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[cyclopropyl(methyl)amino]-4-pyridinyl]-N-[1-[4-[[[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]-3-propan-2-ylpyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 146598415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).