tert-butyl 2-[[3-[3-[5-[2-[ethyl(methyl)amino]acetyl]-2,3,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

C37H47N7O5 — CID 142388627

About tert-butyl 2-[[3-[3-[5-[2-[ethyl(methyl)amino]acetyl]-2,3,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

tert-butyl 2-[[3-[3-[5-[2-[ethyl(methyl)amino]acetyl]-2,3,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 142388627) has the molecular formula C37H47N7O5 and a molecular weight of 669.83 g/mol. Its IUPAC name is tert-butyl 2-[[3-[3-[5-[2-[ethyl(methyl)amino]acetyl]-2,3,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[[3-[3-[5-[2-[ethyl(methyl)amino]acetyl]-2,3,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
• PubChem CID: 142388627
• Molecular Formula: C37H47N7O5
• Molecular Weight: 669.83 g/mol
• Exact Mass: 669.36
• IUPAC Name: tert-butyl 2-[[3-[3-[5-[2-[ethyl(methyl)amino]acetyl]-2,3,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
• SMILES: CCN(C)CC(=O)N1CC2=C(C1)OC(c1cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C(=O)OC(C)(C)C)C5)c3C)c1C)N2
• InChI: InChI=1S/C37H47N7O5/c1-9-41(7)21-32(45)44-19-29-31(20-44)48-35(40-29)26-14-10-12-24(22(26)2)25-13-11-15-27(23(25)3)39-34(46)33-38-28-18-43(17-16-30(28)42(33)8)36(47)49-37(4,5)6/h10-15,35,40H,9,16-21H2,1-8H3,(H,39,46)
• InChIKey: BPEWTRGJMVCBAR-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 121.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	669.83
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[3-[3-[5-[2-[ethyl(methyl)amino]acetyl]-2,3,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?

The IUPAC name of tert-butyl 2-[[3-[3-[5-[2-[ethyl(methyl)amino]acetyl]-2,3,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate (CID 142388627) is tert-butyl 2-[[3-[3-[5-[2-[ethyl(methyl)amino]acetyl]-2,3,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate.

What is the SMILES notation for tert-butyl 2-[[3-[3-[5-[2-[ethyl(methyl)amino]acetyl]-2,3,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?

The canonical SMILES for tert-butyl 2-[[3-[3-[5-[2-[ethyl(methyl)amino]acetyl]-2,3,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate is CCN(C)CC(=O)N1CC2=C(C1)OC(c1cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C(=O)OC(C)(C)C)C5)c3C)c1C)N2.

What is the InChIKey of tert-butyl 2-[[3-[3-[5-[2-[ethyl(methyl)amino]acetyl]-2,3,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?

The InChIKey is BPEWTRGJMVCBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47N7O5/c1-9-41(7)21-32(45)44-19-29-31(20-44)48-35(40-29)26-14-10-12-24(22(26)2)25-13-11-15-27(23(25)3)39-34(46)33-38-28-18-43(17-16-30(28)42(33)8)36(47)49-37(4,5)6/h10-15,35,40H,9,16-21H2,1-8H3,(H,39,46).

What are the key properties of tert-butyl 2-[[3-[3-[5-[2-[ethyl(methyl)amino]acetyl]-2,3,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?

tert-butyl 2-[[3-[3-[5-[2-[ethyl(methyl)amino]acetyl]-2,3,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 669.83 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[[3-[3-[5-[2-[ethyl(methyl)amino]acetyl]-2,3,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 142388627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).