6-[(2E,4E,6E)-3-fluoronona-2,4,6-trien-5-yl]-3-heptan-2-yl-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine

C33H41FN4 — CID 165134303

About 6-[(2E,4E,6E)-3-fluoronona-2,4,6-trien-5-yl]-3-heptan-2-yl-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine

6-[(2E,4E,6E)-3-fluoronona-2,4,6-trien-5-yl]-3-heptan-2-yl-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine (PubChem CID 165134303) has the molecular formula C33H41FN4 and a molecular weight of 512.72 g/mol. Its IUPAC name is 6-[(2E,4E,6E)-3-fluoronona-2,4,6-trien-5-yl]-3-heptan-2-yl-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

• Compound Name: 6-[(2E,4E,6E)-3-fluoronona-2,4,6-trien-5-yl]-3-heptan-2-yl-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine
• PubChem CID: 165134303
• Molecular Formula: C33H41FN4
• Molecular Weight: 512.72 g/mol
• Exact Mass: 512.33
• IUPAC Name: 6-[(2E,4E,6E)-3-fluoronona-2,4,6-trien-5-yl]-3-heptan-2-yl-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine
• SMILES: C/C=C(F)\C=C(/C=C/CC)c1cc(NCCc2c[nH]c3ccccc23)c2ncc(C(C)CCCCC)n2c1
• InChI: InChI=1S/C33H41FN4/c1-5-8-10-13-24(4)32-22-37-33-31(35-18-17-26-21-36-30-16-12-11-15-29(26)30)20-27(23-38(32)33)25(14-9-6-2)19-28(34)7-3/h7,9,11-12,14-16,19-24,35-36H,5-6,8,10,13,17-18H2,1-4H3/b14-9+,25-19+,28-7+
• InChIKey: RGBWTHDUFNIHMM-LHUVEWCLSA-N
• XLogP: 9.38
• TPSA: 45.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.72
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(2E,4E,6E)-3-fluoronona-2,4,6-trien-5-yl]-3-heptan-2-yl-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine?

The IUPAC name of 6-[(2E,4E,6E)-3-fluoronona-2,4,6-trien-5-yl]-3-heptan-2-yl-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine (CID 165134303) is 6-[(2E,4E,6E)-3-fluoronona-2,4,6-trien-5-yl]-3-heptan-2-yl-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine.

What is the SMILES notation for 6-[(2E,4E,6E)-3-fluoronona-2,4,6-trien-5-yl]-3-heptan-2-yl-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine?

The canonical SMILES for 6-[(2E,4E,6E)-3-fluoronona-2,4,6-trien-5-yl]-3-heptan-2-yl-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine is C/C=C(F)\C=C(/C=C/CC)c1cc(NCCc2c[nH]c3ccccc23)c2ncc(C(C)CCCCC)n2c1.

What is the InChIKey of 6-[(2E,4E,6E)-3-fluoronona-2,4,6-trien-5-yl]-3-heptan-2-yl-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine?

The InChIKey is RGBWTHDUFNIHMM-LHUVEWCLSA-N. The full InChI is InChI=1S/C33H41FN4/c1-5-8-10-13-24(4)32-22-37-33-31(35-18-17-26-21-36-30-16-12-11-15-29(26)30)20-27(23-38(32)33)25(14-9-6-2)19-28(34)7-3/h7,9,11-12,14-16,19-24,35-36H,5-6,8,10,13,17-18H2,1-4H3/b14-9+,25-19+,28-7+.

What are the key properties of 6-[(2E,4E,6E)-3-fluoronona-2,4,6-trien-5-yl]-3-heptan-2-yl-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine?

6-[(2E,4E,6E)-3-fluoronona-2,4,6-trien-5-yl]-3-heptan-2-yl-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine has a molecular weight of 512.72 g/mol, XLogP of 9.38, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2E,4E,6E)-3-fluoronona-2,4,6-trien-5-yl]-3-heptan-2-yl-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 165134303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).