(2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

C28H24FN5O2 — CID 46226076

About (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

(2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 46226076) has the molecular formula C28H24FN5O2 and a molecular weight of 481.53 g/mol. Its IUPAC name is (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

• Compound Name: (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
• PubChem CID: 46226076
• Molecular Formula: C28H24FN5O2
• Molecular Weight: 481.53 g/mol
• Exact Mass: 481.19
• IUPAC Name: (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
• SMILES: Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5c(F)cccc45)cnc3-c3ccoc3)cc12
• InChI: InChI=1S/C28H24FN5O2/c1-16-23-10-17(5-6-26(23)34-33-16)24-11-21(13-32-27(24)18-7-8-35-14-18)36-15-20(30)9-19-12-31-28-22(19)3-2-4-25(28)29/h2-8,10-14,20,31H,9,15,30H2,1H3,(H,33,34)/t20-/m0/s1
• InChIKey: QSOVJRDSOIJUES-FQEVSTJZSA-N
• XLogP: 5.76
• TPSA: 105.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.53
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?

The IUPAC name of (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 46226076) is (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.

What is the SMILES notation for (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?

The canonical SMILES for (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5c(F)cccc45)cnc3-c3ccoc3)cc12.

What is the InChIKey of (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?

The InChIKey is QSOVJRDSOIJUES-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H24FN5O2/c1-16-23-10-17(5-6-26(23)34-33-16)24-11-21(13-32-27(24)18-7-8-35-14-18)36-15-20(30)9-19-12-31-28-22(19)3-2-4-25(28)29/h2-8,10-14,20,31H,9,15,30H2,1H3,(H,33,34)/t20-/m0/s1.

What are the key properties of (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?

(2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 481.53 g/mol, XLogP of 5.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-(7-fluoro-1H-indol-3-yl)-3-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 46226076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).