methyl N-[(2R)-1-[2-[5-[4-[4-[2-[(3-amino-2-oxopiperidin-1-yl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C35H42N8O4 — CID 66620099

About methyl N-[(2R)-1-[2-[5-[4-[4-[2-[(3-amino-2-oxopiperidin-1-yl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

methyl N-[(2R)-1-[2-[5-[4-[4-[2-[(3-amino-2-oxopiperidin-1-yl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 66620099) has the molecular formula C35H42N8O4 and a molecular weight of 638.77 g/mol. Its IUPAC name is methyl N-[(2R)-1-[2-[5-[4-[4-[2-[(3-amino-2-oxopiperidin-1-yl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[(2R)-1-[2-[5-[4-[4-[2-[(3-amino-2-oxopiperidin-1-yl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 66620099
• Molecular Formula: C35H42N8O4
• Molecular Weight: 638.77 g/mol
• Exact Mass: 638.33
• IUPAC Name: methyl N-[(2R)-1-[2-[5-[4-[4-[2-[(3-amino-2-oxopiperidin-1-yl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• SMILES: COC(=O)N[C@@H](C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(CN5CCCC(N)C5=O)[nH]4)cc3)cc2)[nH]1)C(C)C
• InChI: InChI=1S/C35H42N8O4/c1-21(2)31(41-35(46)47-3)34(45)43-17-5-7-29(43)32-38-19-28(40-32)25-14-10-23(11-15-25)22-8-12-24(13-9-22)27-18-37-30(39-27)20-42-16-4-6-26(36)33(42)44/h8-15,18-19,21,26,29,31H,4-7,16-17,20,36H2,1-3H3,(H,37,39)(H,38,40)(H,41,46)/t26?,29?,31-/m1/s1
• InChIKey: WVWPPNYWXDWGCQ-IOVBHOCZSA-N
• XLogP: 4.63
• TPSA: 162.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	638.77
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-1-[2-[5-[4-[4-[2-[(3-amino-2-oxopiperidin-1-yl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of methyl N-[(2R)-1-[2-[5-[4-[4-[2-[(3-amino-2-oxopiperidin-1-yl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 66620099) is methyl N-[(2R)-1-[2-[5-[4-[4-[2-[(3-amino-2-oxopiperidin-1-yl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for methyl N-[(2R)-1-[2-[5-[4-[4-[2-[(3-amino-2-oxopiperidin-1-yl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for methyl N-[(2R)-1-[2-[5-[4-[4-[2-[(3-amino-2-oxopiperidin-1-yl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is COC(=O)N[C@@H](C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(CN5CCCC(N)C5=O)[nH]4)cc3)cc2)[nH]1)C(C)C.

What is the InChIKey of methyl N-[(2R)-1-[2-[5-[4-[4-[2-[(3-amino-2-oxopiperidin-1-yl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The InChIKey is WVWPPNYWXDWGCQ-IOVBHOCZSA-N. The full InChI is InChI=1S/C35H42N8O4/c1-21(2)31(41-35(46)47-3)34(45)43-17-5-7-29(43)32-38-19-28(40-32)25-14-10-23(11-15-25)22-8-12-24(13-9-22)27-18-37-30(39-27)20-42-16-4-6-26(36)33(42)44/h8-15,18-19,21,26,29,31H,4-7,16-17,20,36H2,1-3H3,(H,37,39)(H,38,40)(H,41,46)/t26?,29?,31-/m1/s1.

What are the key properties of methyl N-[(2R)-1-[2-[5-[4-[4-[2-[(3-amino-2-oxopiperidin-1-yl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

methyl N-[(2R)-1-[2-[5-[4-[4-[2-[(3-amino-2-oxopiperidin-1-yl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 638.77 g/mol, XLogP of 4.63, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[(2R)-1-[2-[5-[4-[4-[2-[(3-amino-2-oxopiperidin-1-yl)methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 66620099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).