(S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine

C28H24FN5O2 — CID 46190875

About (S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine

(S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine (PubChem CID 46190875) has the molecular formula C28H24FN5O2 and a molecular weight of 481.50 g/mol. Its IUPAC name is (2S)-1-(5-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: (S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
• PubChem CID: 46190875
• Molecular Formula: C28H24FN5O2
• Molecular Weight: 481.50 g/mol
• Exact Mass: 481.19
• IUPAC Name: (2S)-1-(5-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=C2C=C(C=CC2=NN1)C3=C(N=CC(=C3)OC[C@H](CC4=CNC5=C4C=C(C=C5)F)N)C6=COC=C6
• InChI: InChI=1S/C28H24FN5O2/c1-16-23-9-17(2-4-27(23)34-33-16)25-11-22(13-32-28(25)18-6-7-35-14-18)36-15-21(30)8-19-12-31-26-5-3-20(29)10-24(19)26/h2-7,9-14,21,31H,8,15,30H2,1H3,(H,33,34)/t21-/m0/s1
• InChIKey: RQDVBCMBFIRGJD-NRFANRHFSA-N
• XLogP: 4.50
• TPSA: 106.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: 732

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.50
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine?

The IUPAC name of (S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine (CID 46190875) is (2S)-1-(5-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 (S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine?

The canonical SMILES for (S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine is CC1=C2C=C(C=CC2=NN1)C3=C(N=CC(=C3)OC[C@H](CC4=CNC5=C4C=C(C=C5)F)N)C6=COC=C6.

What is the InChIKey of (S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine?

The InChIKey is RQDVBCMBFIRGJD-NRFANRHFSA-N. The full InChI is InChI=1S/C28H24FN5O2/c1-16-23-9-17(2-4-27(23)34-33-16)25-11-22(13-32-28(25)18-6-7-35-14-18)36-15-21(30)8-19-12-31-26-5-3-20(29)10-24(19)26/h2-7,9-14,21,31H,8,15,30H2,1H3,(H,33,34)/t21-/m0/s1.

What are the key properties of (S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine?

(S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine has a molecular weight of 481.50 g/mol, XLogP of 4.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine is sourced from PubChem (CID 46190875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).