tert-butyl N-methyl-N-[[2-[[(4-methylpiperidine-4-carbonyl)-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]methyl]carbamate

C38H46N6O5 — CID 146612681

About tert-butyl N-methyl-N-[[2-[[(4-methylpiperidine-4-carbonyl)-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]methyl]carbamate

tert-butyl N-methyl-N-[[2-[[(4-methylpiperidine-4-carbonyl)-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]methyl]carbamate (PubChem CID 146612681) has the molecular formula C38H46N6O5 and a molecular weight of 666.82 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[2-[[(4-methylpiperidine-4-carbonyl)-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-methyl-N-[[2-[[(4-methylpiperidine-4-carbonyl)-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]methyl]carbamate
• PubChem CID: 146612681
• Molecular Formula: C38H46N6O5
• Molecular Weight: 666.82 g/mol
• Exact Mass: 666.35
• IUPAC Name: tert-butyl N-methyl-N-[[2-[[(4-methylpiperidine-4-carbonyl)-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]methyl]carbamate
• SMILES: CN(Cc1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C1(C)CCNCC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C38H46N6O5/c1-36(2,3)49-35(48)43(5)22-26-9-6-7-10-27(26)23-44(34(47)37(4)14-17-39-18-15-37)24-31(45)41-29-13-12-25-20-38(21-28(25)19-29)30-11-8-16-40-32(30)42-33(38)46/h6-13,16,19,39H,14-15,17-18,20-24H2,1-5H3,(H,41,45)(H,40,42,46)
• InChIKey: VPPTVIYRSZYMDH-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 132.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	666.82
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[2-[[(4-methylpiperidine-4-carbonyl)-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]methyl]carbamate?

The IUPAC name of tert-butyl N-methyl-N-[[2-[[(4-methylpiperidine-4-carbonyl)-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]methyl]carbamate (CID 146612681) is tert-butyl N-methyl-N-[[2-[[(4-methylpiperidine-4-carbonyl)-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]methyl]carbamate.

What is the SMILES notation for tert-butyl N-methyl-N-[[2-[[(4-methylpiperidine-4-carbonyl)-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]methyl]carbamate?

The canonical SMILES for tert-butyl N-methyl-N-[[2-[[(4-methylpiperidine-4-carbonyl)-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]methyl]carbamate is CN(Cc1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C1(C)CCNCC1)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-methyl-N-[[2-[[(4-methylpiperidine-4-carbonyl)-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]methyl]carbamate?

The InChIKey is VPPTVIYRSZYMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N6O5/c1-36(2,3)49-35(48)43(5)22-26-9-6-7-10-27(26)23-44(34(47)37(4)14-17-39-18-15-37)24-31(45)41-29-13-12-25-20-38(21-28(25)19-29)30-11-8-16-40-32(30)42-33(38)46/h6-13,16,19,39H,14-15,17-18,20-24H2,1-5H3,(H,41,45)(H,40,42,46).

What are the key properties of tert-butyl N-methyl-N-[[2-[[(4-methylpiperidine-4-carbonyl)-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]methyl]carbamate?

tert-butyl N-methyl-N-[[2-[[(4-methylpiperidine-4-carbonyl)-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]methyl]carbamate has a molecular weight of 666.82 g/mol, XLogP of 4.79, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-methyl-N-[[2-[[(4-methylpiperidine-4-carbonyl)-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 146612681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).