N-[2-[[6'-[[[2-[[2,2-dimethylpropanoyl-[(2S)-1-oxo-1-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]propan-2-yl]amino]methyl]phenyl]methylamino]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]-2-oxoethyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide

C65H69N11O6 — CID 142473542

About N-[2-[[6'-[[[2-[[2,2-dimethylpropanoyl-[(2S)-1-oxo-1-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]propan-2-yl]amino]methyl]phenyl]methylamino]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]-2-oxoethyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide

N-[2-[[6'-[[[2-[[2,2-dimethylpropanoyl-[(2S)-1-oxo-1-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]propan-2-yl]amino]methyl]phenyl]methylamino]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]-2-oxoethyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 142473542) has the molecular formula C65H69N11O6 and a molecular weight of 1100.34 g/mol. Its IUPAC name is N-[2-[[6'-[[[2-[[2,2-dimethylpropanoyl-[(2S)-1-oxo-1-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]propan-2-yl]amino]methyl]phenyl]methylamino]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]-2-oxoethyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[2-[[6'-[[[2-[[2,2-dimethylpropanoyl-[(2S)-1-oxo-1-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]propan-2-yl]amino]methyl]phenyl]methylamino]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]-2-oxoethyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide
• PubChem CID: 142473542
• Molecular Formula: C65H69N11O6
• Molecular Weight: 1100.34 g/mol
• Exact Mass: 1099.54
• IUPAC Name: N-[2-[[6'-[[[2-[[2,2-dimethylpropanoyl-[(2S)-1-oxo-1-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]propan-2-yl]amino]methyl]phenyl]methylamino]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]-2-oxoethyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide
• SMILES: C[C@@H](C(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)N(Cc1ccccc1CNCc1ccc2c(n1)NC(=O)C21Cc2ccc(NC(=O)CN(Cc3ccccc3Cn3ccnc3)C(=O)C(C)(C)C)cc2C1)C(=O)C(C)(C)C
• InChI: InChI=1S/C65H69N11O6/c1-40(57(78)71-50-21-19-42-29-64(31-48(42)28-50)52-17-12-24-68-55(52)72-58(64)79)76(61(82)63(5,6)7)37-46-16-9-8-13-43(46)33-67-34-51-22-23-53-56(70-51)73-59(80)65(53)30-41-18-20-49(27-47(41)32-65)69-54(77)38-75(60(81)62(2,3)4)36-45-15-11-10-14-44(45)35-74-26-25-66-39-74/h8-28,39-40,67H,29-38H2,1-7H3,(H,69,77)(H,71,78)(H,68,72,79)(H,70,73,80)/t40-,64?,65?/m0/s1
• InChIKey: RWJCDKAHHKYDKP-PKDWNZFASA-N
• XLogP: 8.40
• TPSA: 212.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1100.34
LogP ≤ 5	8.40
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6'-[[[2-[[2,2-dimethylpropanoyl-[(2S)-1-oxo-1-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]propan-2-yl]amino]methyl]phenyl]methylamino]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]-2-oxoethyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[2-[[6'-[[[2-[[2,2-dimethylpropanoyl-[(2S)-1-oxo-1-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]propan-2-yl]amino]methyl]phenyl]methylamino]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]-2-oxoethyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide (CID 142473542) is N-[2-[[6'-[[[2-[[2,2-dimethylpropanoyl-[(2S)-1-oxo-1-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]propan-2-yl]amino]methyl]phenyl]methylamino]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]-2-oxoethyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[2-[[6'-[[[2-[[2,2-dimethylpropanoyl-[(2S)-1-oxo-1-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]propan-2-yl]amino]methyl]phenyl]methylamino]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]-2-oxoethyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[2-[[6'-[[[2-[[2,2-dimethylpropanoyl-[(2S)-1-oxo-1-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]propan-2-yl]amino]methyl]phenyl]methylamino]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]-2-oxoethyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide is C[C@@H](C(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)N(Cc1ccccc1CNCc1ccc2c(n1)NC(=O)C21Cc2ccc(NC(=O)CN(Cc3ccccc3Cn3ccnc3)C(=O)C(C)(C)C)cc2C1)C(=O)C(C)(C)C.

What is the InChIKey of N-[2-[[6'-[[[2-[[2,2-dimethylpropanoyl-[(2S)-1-oxo-1-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]propan-2-yl]amino]methyl]phenyl]methylamino]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]-2-oxoethyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide?

The InChIKey is RWJCDKAHHKYDKP-PKDWNZFASA-N. The full InChI is InChI=1S/C65H69N11O6/c1-40(57(78)71-50-21-19-42-29-64(31-48(42)28-50)52-17-12-24-68-55(52)72-58(64)79)76(61(82)63(5,6)7)37-46-16-9-8-13-43(46)33-67-34-51-22-23-53-56(70-51)73-59(80)65(53)30-41-18-20-49(27-47(41)32-65)69-54(77)38-75(60(81)62(2,3)4)36-45-15-11-10-14-44(45)35-74-26-25-66-39-74/h8-28,39-40,67H,29-38H2,1-7H3,(H,69,77)(H,71,78)(H,68,72,79)(H,70,73,80)/t40-,64?,65?/m0/s1.

What are the key properties of N-[2-[[6'-[[[2-[[2,2-dimethylpropanoyl-[(2S)-1-oxo-1-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]propan-2-yl]amino]methyl]phenyl]methylamino]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]-2-oxoethyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide?

N-[2-[[6'-[[[2-[[2,2-dimethylpropanoyl-[(2S)-1-oxo-1-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]propan-2-yl]amino]methyl]phenyl]methylamino]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]-2-oxoethyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 1100.34 g/mol, XLogP of 8.40, 16 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[6'-[[[2-[[2,2-dimethylpropanoyl-[(2S)-1-oxo-1-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]propan-2-yl]amino]methyl]phenyl]methylamino]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]-2-oxoethyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 142473542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).