N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(2S)-2'-oxospiro[1,3-dihydrocyclopenta[b]quinoline-2,3'-1H-pyrrolo[2,3-b]pyridine]-7-yl]methyl]propanamide

C34H34N4O2 — CID 52941862

About N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(2S)-2'-oxospiro[1,3-dihydrocyclopenta[b]quinoline-2,3'-1H-pyrrolo[2,3-b]pyridine]-7-yl]methyl]propanamide

N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(2S)-2'-oxospiro[1,3-dihydrocyclopenta[b]quinoline-2,3'-1H-pyrrolo[2,3-b]pyridine]-7-yl]methyl]propanamide (PubChem CID 52941862) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(2S)-2'-oxospiro[1,3-dihydrocyclopenta[b]quinoline-2,3'-1H-pyrrolo[2,3-b]pyridine]-7-yl]methyl]propanamide.

Molecular Properties

• Compound Name: N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(2S)-2'-oxospiro[1,3-dihydrocyclopenta[b]quinoline-2,3'-1H-pyrrolo[2,3-b]pyridine]-7-yl]methyl]propanamide
• PubChem CID: 52941862
• Molecular Formula: C34H34N4O2
• Molecular Weight: 530.67 g/mol
• Exact Mass: 530.27
• IUPAC Name: N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(2S)-2'-oxospiro[1,3-dihydrocyclopenta[b]quinoline-2,3'-1H-pyrrolo[2,3-b]pyridine]-7-yl]methyl]propanamide
• SMILES: CC(C)(C)C(=O)N(Cc1ccc2nc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C[C@@H]1CCc2ccccc21
• InChI: InChI=1S/C34H34N4O2/c1-33(2,3)32(40)38(20-23-12-11-22-7-4-5-8-26(22)23)19-21-10-13-28-24(15-21)16-25-17-34(18-29(25)36-28)27-9-6-14-35-30(27)37-31(34)39/h4-10,13-16,23H,11-12,17-20H2,1-3H3,(H,35,37,39)/t23-,34-/m0/s1
• InChIKey: BVIMNXCPSGSFBX-HUBRWUETSA-N
• XLogP: 5.72
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.67
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(2S)-2'-oxospiro[1,3-dihydrocyclopenta[b]quinoline-2,3'-1H-pyrrolo[2,3-b]pyridine]-7-yl]methyl]propanamide?

The IUPAC name of N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(2S)-2'-oxospiro[1,3-dihydrocyclopenta[b]quinoline-2,3'-1H-pyrrolo[2,3-b]pyridine]-7-yl]methyl]propanamide (CID 52941862) is N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(2S)-2'-oxospiro[1,3-dihydrocyclopenta[b]quinoline-2,3'-1H-pyrrolo[2,3-b]pyridine]-7-yl]methyl]propanamide.

What is the SMILES notation for N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(2S)-2'-oxospiro[1,3-dihydrocyclopenta[b]quinoline-2,3'-1H-pyrrolo[2,3-b]pyridine]-7-yl]methyl]propanamide?

The canonical SMILES for N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(2S)-2'-oxospiro[1,3-dihydrocyclopenta[b]quinoline-2,3'-1H-pyrrolo[2,3-b]pyridine]-7-yl]methyl]propanamide is CC(C)(C)C(=O)N(Cc1ccc2nc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C[C@@H]1CCc2ccccc21.

What is the InChIKey of N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(2S)-2'-oxospiro[1,3-dihydrocyclopenta[b]quinoline-2,3'-1H-pyrrolo[2,3-b]pyridine]-7-yl]methyl]propanamide?

The InChIKey is BVIMNXCPSGSFBX-HUBRWUETSA-N. The full InChI is InChI=1S/C34H34N4O2/c1-33(2,3)32(40)38(20-23-12-11-22-7-4-5-8-26(22)23)19-21-10-13-28-24(15-21)16-25-17-34(18-29(25)36-28)27-9-6-14-35-30(27)37-31(34)39/h4-10,13-16,23H,11-12,17-20H2,1-3H3,(H,35,37,39)/t23-,34-/m0/s1.

What are the key properties of N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(2S)-2'-oxospiro[1,3-dihydrocyclopenta[b]quinoline-2,3'-1H-pyrrolo[2,3-b]pyridine]-7-yl]methyl]propanamide?

N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(2S)-2'-oxospiro[1,3-dihydrocyclopenta[b]quinoline-2,3'-1H-pyrrolo[2,3-b]pyridine]-7-yl]methyl]propanamide has a molecular weight of 530.67 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(2S)-2'-oxospiro[1,3-dihydrocyclopenta[b]quinoline-2,3'-1H-pyrrolo[2,3-b]pyridine]-7-yl]methyl]propanamide is sourced from PubChem (CID 52941862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).