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

C28H25N5O2 — CID 69132706

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

(2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (PubChem CID 69132706) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.

Molecular Properties

• Compound Name: (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
• PubChem CID: 69132706
• Molecular Formula: C28H25N5O2
• Molecular Weight: 463.54 g/mol
• Exact Mass: 463.20
• IUPAC Name: (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
• SMILES: Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccco3)cc12
• InChI: InChI=1S/C28H25N5O2/c1-17-23-12-18(8-9-26(23)33-32-17)24-13-21(15-31-28(24)27-7-4-10-34-27)35-16-20(29)11-19-14-30-25-6-3-2-5-22(19)25/h2-10,12-15,20,30H,11,16,29H2,1H3,(H,32,33)/t20-/m0/s1
• InChIKey: DVGFPRNDXQWJIX-FQEVSTJZSA-N
• XLogP: 5.62
• TPSA: 105.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.54
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (CID 69132706) is (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.

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

The canonical SMILES for (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccco3)cc12.

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

The InChIKey is DVGFPRNDXQWJIX-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-17-23-12-18(8-9-26(23)33-32-17)24-13-21(15-31-28(24)27-7-4-10-34-27)35-16-20(29)11-19-14-30-25-6-3-2-5-22(19)25/h2-10,12-15,20,30H,11,16,29H2,1H3,(H,32,33)/t20-/m0/s1.

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

(2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine has a molecular weight of 463.54 g/mol, XLogP of 5.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 69132706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).