5,6-difluoro-N-[1-[5-fluoro-6-[6-(3,3,3-trifluoropropyl)spiro[3.3]heptan-2-yl]-3-pyridinyl]ethenyl]-1H-indol-3-amine

C25H23F6N3 — CID 162445017

About 5,6-difluoro-N-[1-[5-fluoro-6-[6-(3,3,3-trifluoropropyl)spiro[3.3]heptan-2-yl]-3-pyridinyl]ethenyl]-1H-indol-3-amine

5,6-difluoro-N-[1-[5-fluoro-6-[6-(3,3,3-trifluoropropyl)spiro[3.3]heptan-2-yl]-3-pyridinyl]ethenyl]-1H-indol-3-amine (PubChem CID 162445017) has the molecular formula C25H23F6N3 and a molecular weight of 479.47 g/mol. Its IUPAC name is 5,6-difluoro-N-[1-[5-fluoro-6-[6-(3,3,3-trifluoropropyl)spiro[3.3]heptan-2-yl]-3-pyridinyl]ethenyl]-1H-indol-3-amine.

Molecular Properties

• Compound Name: 5,6-difluoro-N-[1-[5-fluoro-6-[6-(3,3,3-trifluoropropyl)spiro[3.3]heptan-2-yl]-3-pyridinyl]ethenyl]-1H-indol-3-amine
• PubChem CID: 162445017
• Molecular Formula: C25H23F6N3
• Molecular Weight: 479.47 g/mol
• Exact Mass: 479.18
• IUPAC Name: 5,6-difluoro-N-[1-[5-fluoro-6-[6-(3,3,3-trifluoropropyl)spiro[3.3]heptan-2-yl]-3-pyridinyl]ethenyl]-1H-indol-3-amine
• SMILES: C=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cnc(C2CC3(CC(CCC(F)(F)F)C3)C2)c(F)c1
• InChI: InChI=1S/C25H23F6N3/c1-13(34-22-12-32-21-6-19(27)18(26)5-17(21)22)15-4-20(28)23(33-11-15)16-9-24(10-16)7-14(8-24)2-3-25(29,30)31/h4-6,11-12,14,16,32,34H,1-3,7-10H2
• InChIKey: OMVWHDOFHIENOH-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 40.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.47
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-N-[1-[5-fluoro-6-[6-(3,3,3-trifluoropropyl)spiro[3.3]heptan-2-yl]-3-pyridinyl]ethenyl]-1H-indol-3-amine?

The IUPAC name of 5,6-difluoro-N-[1-[5-fluoro-6-[6-(3,3,3-trifluoropropyl)spiro[3.3]heptan-2-yl]-3-pyridinyl]ethenyl]-1H-indol-3-amine (CID 162445017) is 5,6-difluoro-N-[1-[5-fluoro-6-[6-(3,3,3-trifluoropropyl)spiro[3.3]heptan-2-yl]-3-pyridinyl]ethenyl]-1H-indol-3-amine.

What is the SMILES notation for 5,6-difluoro-N-[1-[5-fluoro-6-[6-(3,3,3-trifluoropropyl)spiro[3.3]heptan-2-yl]-3-pyridinyl]ethenyl]-1H-indol-3-amine?

The canonical SMILES for 5,6-difluoro-N-[1-[5-fluoro-6-[6-(3,3,3-trifluoropropyl)spiro[3.3]heptan-2-yl]-3-pyridinyl]ethenyl]-1H-indol-3-amine is C=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cnc(C2CC3(CC(CCC(F)(F)F)C3)C2)c(F)c1.

What is the InChIKey of 5,6-difluoro-N-[1-[5-fluoro-6-[6-(3,3,3-trifluoropropyl)spiro[3.3]heptan-2-yl]-3-pyridinyl]ethenyl]-1H-indol-3-amine?

The InChIKey is OMVWHDOFHIENOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F6N3/c1-13(34-22-12-32-21-6-19(27)18(26)5-17(21)22)15-4-20(28)23(33-11-15)16-9-24(10-16)7-14(8-24)2-3-25(29,30)31/h4-6,11-12,14,16,32,34H,1-3,7-10H2.

What are the key properties of 5,6-difluoro-N-[1-[5-fluoro-6-[6-(3,3,3-trifluoropropyl)spiro[3.3]heptan-2-yl]-3-pyridinyl]ethenyl]-1H-indol-3-amine?

5,6-difluoro-N-[1-[5-fluoro-6-[6-(3,3,3-trifluoropropyl)spiro[3.3]heptan-2-yl]-3-pyridinyl]ethenyl]-1H-indol-3-amine has a molecular weight of 479.47 g/mol, XLogP of 7.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-difluoro-N-[1-[5-fluoro-6-[6-(3,3,3-trifluoropropyl)spiro[3.3]heptan-2-yl]-3-pyridinyl]ethenyl]-1H-indol-3-amine is sourced from PubChem (CID 162445017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).