(2S)-1-[[6-(furan-3-yl)-5-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine

C29H26N6O2 — CID 69133262

About (2S)-1-[[6-(furan-3-yl)-5-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine

(2S)-1-[[6-(furan-3-yl)-5-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine (PubChem CID 69133262) has the molecular formula C29H26N6O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is (2S)-1-[[6-(furan-3-yl)-5-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine.

Molecular Properties

• Compound Name: (2S)-1-[[6-(furan-3-yl)-5-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine
• PubChem CID: 69133262
• Molecular Formula: C29H26N6O2
• Molecular Weight: 490.57 g/mol
• Exact Mass: 490.21
• IUPAC Name: (2S)-1-[[6-(furan-3-yl)-5-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine
• SMILES: Cn1cc(-c2n[nH]c3ccc(-c4cc(OC[C@@H](N)Cc5ccccc5)cnc4-c4ccoc4)cc23)cn1
• InChI: InChI=1S/C29H26N6O2/c1-35-16-22(14-32-35)29-26-12-20(7-8-27(26)33-34-29)25-13-24(15-31-28(25)21-9-10-36-17-21)37-18-23(30)11-19-5-3-2-4-6-19/h2-10,12-17,23H,11,18,30H2,1H3,(H,33,34)/t23-/m0/s1
• InChIKey: JQDSAVQGVCHUFL-QHCPKHFHSA-N
• XLogP: 5.23
• TPSA: 107.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.57
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[6-(furan-3-yl)-5-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine?

The IUPAC name of (2S)-1-[[6-(furan-3-yl)-5-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine (CID 69133262) is (2S)-1-[[6-(furan-3-yl)-5-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine.

What is the SMILES notation for (2S)-1-[[6-(furan-3-yl)-5-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine?

The canonical SMILES for (2S)-1-[[6-(furan-3-yl)-5-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine is Cn1cc(-c2n[nH]c3ccc(-c4cc(OC[C@@H](N)Cc5ccccc5)cnc4-c4ccoc4)cc23)cn1.

What is the InChIKey of (2S)-1-[[6-(furan-3-yl)-5-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine?

The InChIKey is JQDSAVQGVCHUFL-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H26N6O2/c1-35-16-22(14-32-35)29-26-12-20(7-8-27(26)33-34-29)25-13-24(15-31-28(25)21-9-10-36-17-21)37-18-23(30)11-19-5-3-2-4-6-19/h2-10,12-17,23H,11,18,30H2,1H3,(H,33,34)/t23-/m0/s1.

What are the key properties of (2S)-1-[[6-(furan-3-yl)-5-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine?

(2S)-1-[[6-(furan-3-yl)-5-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine has a molecular weight of 490.57 g/mol, XLogP of 5.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[[6-(furan-3-yl)-5-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine is sourced from PubChem (CID 69133262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).