5-ethyl-1'-[3-[8-(3-methylcyclobutyl)-7-methylidene-5,6-dihydro-1,8-naphthyridin-3-yl]propyl]-2-methylidenespiro[1H-indole-3,4'-piperidine]

C32H42N4 — CID 168997653

About 5-ethyl-1'-[3-[8-(3-methylcyclobutyl)-7-methylidene-5,6-dihydro-1,8-naphthyridin-3-yl]propyl]-2-methylidenespiro[1H-indole-3,4'-piperidine]

5-ethyl-1'-[3-[8-(3-methylcyclobutyl)-7-methylidene-5,6-dihydro-1,8-naphthyridin-3-yl]propyl]-2-methylidenespiro[1H-indole-3,4'-piperidine] (PubChem CID 168997653) has the molecular formula C32H42N4 and a molecular weight of 482.72 g/mol. Its IUPAC name is 5-ethyl-1'-[3-[8-(3-methylcyclobutyl)-7-methylidene-5,6-dihydro-1,8-naphthyridin-3-yl]propyl]-2-methylidenespiro[1H-indole-3,4'-piperidine].

Molecular Properties

• Compound Name: 5-ethyl-1'-[3-[8-(3-methylcyclobutyl)-7-methylidene-5,6-dihydro-1,8-naphthyridin-3-yl]propyl]-2-methylidenespiro[1H-indole-3,4'-piperidine]
• PubChem CID: 168997653
• Molecular Formula: C32H42N4
• Molecular Weight: 482.72 g/mol
• Exact Mass: 482.34
• IUPAC Name: 5-ethyl-1'-[3-[8-(3-methylcyclobutyl)-7-methylidene-5,6-dihydro-1,8-naphthyridin-3-yl]propyl]-2-methylidenespiro[1H-indole-3,4'-piperidine]
• SMILES: C=C1CCc2cc(CCCN3CCC4(CC3)C(=C)Nc3ccc(CC)cc34)cnc2N1C1CC(C)C1
• InChI: InChI=1S/C32H42N4/c1-5-25-9-11-30-29(20-25)32(24(4)34-30)12-15-35(16-13-32)14-6-7-26-19-27-10-8-23(3)36(31(27)33-21-26)28-17-22(2)18-28/h9,11,19-22,28,34H,3-8,10,12-18H2,1-2H3
• InChIKey: KGQXPMDEABDCDT-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 31.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.72
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1'-[3-[8-(3-methylcyclobutyl)-7-methylidene-5,6-dihydro-1,8-naphthyridin-3-yl]propyl]-2-methylidenespiro[1H-indole-3,4'-piperidine]?

The IUPAC name of 5-ethyl-1'-[3-[8-(3-methylcyclobutyl)-7-methylidene-5,6-dihydro-1,8-naphthyridin-3-yl]propyl]-2-methylidenespiro[1H-indole-3,4'-piperidine] (CID 168997653) is 5-ethyl-1'-[3-[8-(3-methylcyclobutyl)-7-methylidene-5,6-dihydro-1,8-naphthyridin-3-yl]propyl]-2-methylidenespiro[1H-indole-3,4'-piperidine].

What is the SMILES notation for 5-ethyl-1'-[3-[8-(3-methylcyclobutyl)-7-methylidene-5,6-dihydro-1,8-naphthyridin-3-yl]propyl]-2-methylidenespiro[1H-indole-3,4'-piperidine]?

The canonical SMILES for 5-ethyl-1'-[3-[8-(3-methylcyclobutyl)-7-methylidene-5,6-dihydro-1,8-naphthyridin-3-yl]propyl]-2-methylidenespiro[1H-indole-3,4'-piperidine] is C=C1CCc2cc(CCCN3CCC4(CC3)C(=C)Nc3ccc(CC)cc34)cnc2N1C1CC(C)C1.

What is the InChIKey of 5-ethyl-1'-[3-[8-(3-methylcyclobutyl)-7-methylidene-5,6-dihydro-1,8-naphthyridin-3-yl]propyl]-2-methylidenespiro[1H-indole-3,4'-piperidine]?

The InChIKey is KGQXPMDEABDCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4/c1-5-25-9-11-30-29(20-25)32(24(4)34-30)12-15-35(16-13-32)14-6-7-26-19-27-10-8-23(3)36(31(27)33-21-26)28-17-22(2)18-28/h9,11,19-22,28,34H,3-8,10,12-18H2,1-2H3.

What are the key properties of 5-ethyl-1'-[3-[8-(3-methylcyclobutyl)-7-methylidene-5,6-dihydro-1,8-naphthyridin-3-yl]propyl]-2-methylidenespiro[1H-indole-3,4'-piperidine]?

5-ethyl-1'-[3-[8-(3-methylcyclobutyl)-7-methylidene-5,6-dihydro-1,8-naphthyridin-3-yl]propyl]-2-methylidenespiro[1H-indole-3,4'-piperidine] has a molecular weight of 482.72 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-1'-[3-[8-(3-methylcyclobutyl)-7-methylidene-5,6-dihydro-1,8-naphthyridin-3-yl]propyl]-2-methylidenespiro[1H-indole-3,4'-piperidine] is sourced from PubChem (CID 168997653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).