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

C27H27N5O4 — CID 146571919

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

methyl-[[2-[[[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]amino]methyl]phenyl]methyl]carbamic acid (PubChem CID 146571919) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is methyl-[[2-[[[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]amino]methyl]phenyl]methyl]carbamic acid.

Molecular Properties

• Compound Name: methyl-[[2-[[[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]amino]methyl]phenyl]methyl]carbamic acid
• PubChem CID: 146571919
• Molecular Formula: C27H27N5O4
• Molecular Weight: 485.54 g/mol
• Exact Mass: 485.21
• IUPAC Name: methyl-[[2-[[[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]amino]methyl]phenyl]methyl]carbamic acid
• SMILES: CN(Cc1ccccc1CNCC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)O
• InChI: InChI=1S/C27H27N5O4/c1-32(26(35)36)16-19-6-3-2-5-18(19)14-28-15-23(33)30-21-9-8-17-12-27(13-20(17)11-21)22-7-4-10-29-24(22)31-25(27)34/h2-11,28H,12-16H2,1H3,(H,30,33)(H,35,36)(H,29,31,34)/t27-/m1/s1
• InChIKey: BEXNUUNWTZTKIA-HHHXNRCGSA-N
• XLogP: 2.91
• TPSA: 123.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.54
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of methyl-[[2-[[[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]amino]methyl]phenyl]methyl]carbamic acid (CID 146571919) is methyl-[[2-[[[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]amino]methyl]phenyl]methyl]carbamic acid.

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

The canonical SMILES for methyl-[[2-[[[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]amino]methyl]phenyl]methyl]carbamic acid is CN(Cc1ccccc1CNCC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)O.

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

The InChIKey is BEXNUUNWTZTKIA-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-32(26(35)36)16-19-6-3-2-5-18(19)14-28-15-23(33)30-21-9-8-17-12-27(13-20(17)11-21)22-7-4-10-29-24(22)31-25(27)34/h2-11,28H,12-16H2,1H3,(H,30,33)(H,35,36)(H,29,31,34)/t27-/m1/s1.

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

methyl-[[2-[[[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]amino]methyl]phenyl]methyl]carbamic acid has a molecular weight of 485.54 g/mol, XLogP of 2.91, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-[[2-[[[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]amino]methyl]phenyl]methyl]carbamic acid is sourced from PubChem (CID 146571919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).