4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C38H45N7O4 — CID 146612610

About 4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 146612610) has the molecular formula C38H45N7O4 and a molecular weight of 663.82 g/mol. Its IUPAC name is 4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
• PubChem CID: 146612610
• Molecular Formula: C38H45N7O4
• Molecular Weight: 663.82 g/mol
• Exact Mass: 663.35
• IUPAC Name: 4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
• SMILES: CNCc1ccccc1CN(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C1(C)CCN(C(=O)N2CCCC2)CC1
• InChI: InChI=1S/C38H45N7O4/c1-37(13-18-44(19-14-37)36(49)43-16-5-6-17-43)35(48)45(24-28-9-4-3-8-27(28)23-39-2)25-32(46)41-30-12-11-26-21-38(22-29(26)20-30)31-10-7-15-40-33(31)42-34(38)47/h3-4,7-12,15,20,39H,5-6,13-14,16-19,21-25H2,1-2H3,(H,41,46)(H,40,42,47)/t38-/m1/s1
• InChIKey: NFADCUGVMZMJLJ-KXQOOQHDSA-N
• XLogP: 4.07
• TPSA: 126.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	663.82
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?

The IUPAC name of 4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 146612610) is 4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

What is the SMILES notation for 4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?

The canonical SMILES for 4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is CNCc1ccccc1CN(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C1(C)CCN(C(=O)N2CCCC2)CC1.

What is the InChIKey of 4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?

The InChIKey is NFADCUGVMZMJLJ-KXQOOQHDSA-N. The full InChI is InChI=1S/C38H45N7O4/c1-37(13-18-44(19-14-37)36(49)43-16-5-6-17-43)35(48)45(24-28-9-4-3-8-27(28)23-39-2)25-32(46)41-30-12-11-26-21-38(22-29(26)20-30)31-10-7-15-40-33(31)42-34(38)47/h3-4,7-12,15,20,39H,5-6,13-14,16-19,21-25H2,1-2H3,(H,41,46)(H,40,42,47)/t38-/m1/s1.

What are the key properties of 4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?

4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 663.82 g/mol, XLogP of 4.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 146612610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).