methyl-[[2-[[(4-methylpiperidine-4-carbonyl)-[1-oxo-1-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]propan-2-yl]amino]methyl]phenyl]methyl]carbamic acid

C35H40N6O5 — CID 146571911

About methyl-[[2-[[(4-methylpiperidine-4-carbonyl)-[1-oxo-1-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]propan-2-yl]amino]methyl]phenyl]methyl]carbamic acid

methyl-[[2-[[(4-methylpiperidine-4-carbonyl)-[1-oxo-1-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]propan-2-yl]amino]methyl]phenyl]methyl]carbamic acid (PubChem CID 146571911) has the molecular formula C35H40N6O5 and a molecular weight of 624.74 g/mol. Its IUPAC name is methyl-[[2-[[(4-methylpiperidine-4-carbonyl)-[1-oxo-1-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]propan-2-yl]amino]methyl]phenyl]methyl]carbamic acid.

Molecular Properties

• Compound Name: methyl-[[2-[[(4-methylpiperidine-4-carbonyl)-[1-oxo-1-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]propan-2-yl]amino]methyl]phenyl]methyl]carbamic acid
• PubChem CID: 146571911
• Molecular Formula: C35H40N6O5
• Molecular Weight: 624.74 g/mol
• Exact Mass: 624.31
• IUPAC Name: methyl-[[2-[[(4-methylpiperidine-4-carbonyl)-[1-oxo-1-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]propan-2-yl]amino]methyl]phenyl]methyl]carbamic acid
• SMILES: CC(C(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)N(Cc1ccccc1CN(C)C(=O)O)C(=O)C1(C)CCNCC1
• InChI: InChI=1S/C35H40N6O5/c1-22(30(42)38-27-11-10-23-18-35(19-26(23)17-27)28-9-6-14-37-29(28)39-31(35)43)41(32(44)34(2)12-15-36-16-13-34)21-25-8-5-4-7-24(25)20-40(3)33(45)46/h4-11,14,17,22,36H,12-13,15-16,18-21H2,1-3H3,(H,38,42)(H,45,46)(H,37,39,43)/t22?,35-/m1/s1
• InChIKey: UWTLCSHLMPAFSC-BPFCZAMZSA-N
• XLogP: 3.93
• TPSA: 143.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	624.74
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl-[[2-[[(4-methylpiperidine-4-carbonyl)-[1-oxo-1-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]propan-2-yl]amino]methyl]phenyl]methyl]carbamic acid?

The IUPAC name of methyl-[[2-[[(4-methylpiperidine-4-carbonyl)-[1-oxo-1-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]propan-2-yl]amino]methyl]phenyl]methyl]carbamic acid (CID 146571911) is methyl-[[2-[[(4-methylpiperidine-4-carbonyl)-[1-oxo-1-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]propan-2-yl]amino]methyl]phenyl]methyl]carbamic acid.

What is the SMILES notation for methyl-[[2-[[(4-methylpiperidine-4-carbonyl)-[1-oxo-1-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]propan-2-yl]amino]methyl]phenyl]methyl]carbamic acid?

The canonical SMILES for methyl-[[2-[[(4-methylpiperidine-4-carbonyl)-[1-oxo-1-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]propan-2-yl]amino]methyl]phenyl]methyl]carbamic acid is CC(C(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)N(Cc1ccccc1CN(C)C(=O)O)C(=O)C1(C)CCNCC1.

What is the InChIKey of methyl-[[2-[[(4-methylpiperidine-4-carbonyl)-[1-oxo-1-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]propan-2-yl]amino]methyl]phenyl]methyl]carbamic acid?

The InChIKey is UWTLCSHLMPAFSC-BPFCZAMZSA-N. The full InChI is InChI=1S/C35H40N6O5/c1-22(30(42)38-27-11-10-23-18-35(19-26(23)17-27)28-9-6-14-37-29(28)39-31(35)43)41(32(44)34(2)12-15-36-16-13-34)21-25-8-5-4-7-24(25)20-40(3)33(45)46/h4-11,14,17,22,36H,12-13,15-16,18-21H2,1-3H3,(H,38,42)(H,45,46)(H,37,39,43)/t22?,35-/m1/s1.

What are the key properties of methyl-[[2-[[(4-methylpiperidine-4-carbonyl)-[1-oxo-1-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]propan-2-yl]amino]methyl]phenyl]methyl]carbamic acid?

methyl-[[2-[[(4-methylpiperidine-4-carbonyl)-[1-oxo-1-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]propan-2-yl]amino]methyl]phenyl]methyl]carbamic acid has a molecular weight of 624.74 g/mol, XLogP of 3.93, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-[[2-[[(4-methylpiperidine-4-carbonyl)-[1-oxo-1-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]propan-2-yl]amino]methyl]phenyl]methyl]carbamic acid is sourced from PubChem (CID 146571911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).