methyl 1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]phenyl]imidazole-2-carboxylate

C29H33N7O6 — CID 67253107

About methyl 1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]phenyl]imidazole-2-carboxylate

methyl 1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]phenyl]imidazole-2-carboxylate (PubChem CID 67253107) has the molecular formula C29H33N7O6 and a molecular weight of 575.63 g/mol. Its IUPAC name is methyl 1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]phenyl]imidazole-2-carboxylate.

Molecular Properties

• Compound Name: methyl 1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]phenyl]imidazole-2-carboxylate
• PubChem CID: 67253107
• Molecular Formula: C29H33N7O6
• Molecular Weight: 575.63 g/mol
• Exact Mass: 575.25
• IUPAC Name: methyl 1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]phenyl]imidazole-2-carboxylate
• SMILES: COC(=O)c1nc(-c2ccc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cn3C)cc2)cn1C
• InChI: InChI=1S/C29H33N7O6/c1-29(2,3)42-28(40)32-20-13-23(35(5)15-20)26(38)31-19-12-22(34(4)14-19)25(37)30-18-10-8-17(9-11-18)21-16-36(6)24(33-21)27(39)41-7/h8-16H,1-7H3,(H,30,37)(H,31,38)(H,32,40)
• InChIKey: WUDXLOABSZSWQE-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 150.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.63
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]phenyl]imidazole-2-carboxylate?

The IUPAC name of methyl 1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]phenyl]imidazole-2-carboxylate (CID 67253107) is methyl 1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]phenyl]imidazole-2-carboxylate.

What is the SMILES notation for methyl 1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]phenyl]imidazole-2-carboxylate?

The canonical SMILES for methyl 1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]phenyl]imidazole-2-carboxylate is COC(=O)c1nc(-c2ccc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cn3C)cc2)cn1C.

What is the InChIKey of methyl 1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]phenyl]imidazole-2-carboxylate?

The InChIKey is WUDXLOABSZSWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O6/c1-29(2,3)42-28(40)32-20-13-23(35(5)15-20)26(38)31-19-12-22(34(4)14-19)25(37)30-18-10-8-17(9-11-18)21-16-36(6)24(33-21)27(39)41-7/h8-16H,1-7H3,(H,30,37)(H,31,38)(H,32,40).

What are the key properties of methyl 1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]phenyl]imidazole-2-carboxylate?

methyl 1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]phenyl]imidazole-2-carboxylate has a molecular weight of 575.63 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]phenyl]imidazole-2-carboxylate is sourced from PubChem (CID 67253107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).