5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-(furan-3-yl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazol-3-amine

C30H26N6O2 — CID 58941614

About 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-(furan-3-yl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazol-3-amine

5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-(furan-3-yl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazol-3-amine (PubChem CID 58941614) has the molecular formula C30H26N6O2 and a molecular weight of 502.58 g/mol. Its IUPAC name is 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-(furan-3-yl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazol-3-amine.

Molecular Properties

• Compound Name: 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-(furan-3-yl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazol-3-amine
• PubChem CID: 58941614
• Molecular Formula: C30H26N6O2
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.21
• IUPAC Name: 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-(furan-3-yl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazol-3-amine
• SMILES: N[C@H](COc1cnc(-c2ccoc2)c(-c2ccc3[nH]nc(Nc4ccncc4)c3c2)c1)Cc1ccccc1
• InChI: InChI=1S/C30H26N6O2/c31-23(14-20-4-2-1-3-5-20)19-38-25-16-26(29(33-17-25)22-10-13-37-18-22)21-6-7-28-27(15-21)30(36-35-28)34-24-8-11-32-12-9-24/h1-13,15-18,23H,14,19,31H2,(H2,32,34,35,36)/t23-/m0/s1
• InChIKey: XHRSNKXQNOEURE-QHCPKHFHSA-N
• XLogP: 5.97
• TPSA: 114.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.58
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-(furan-3-yl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazol-3-amine?

The IUPAC name of 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-(furan-3-yl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazol-3-amine (CID 58941614) is 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-(furan-3-yl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazol-3-amine.

What is the SMILES notation for 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-(furan-3-yl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazol-3-amine?

The canonical SMILES for 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-(furan-3-yl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazol-3-amine is N[C@H](COc1cnc(-c2ccoc2)c(-c2ccc3[nH]nc(Nc4ccncc4)c3c2)c1)Cc1ccccc1.

What is the InChIKey of 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-(furan-3-yl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazol-3-amine?

The InChIKey is XHRSNKXQNOEURE-QHCPKHFHSA-N. The full InChI is InChI=1S/C30H26N6O2/c31-23(14-20-4-2-1-3-5-20)19-38-25-16-26(29(33-17-25)22-10-13-37-18-22)21-6-7-28-27(15-21)30(36-35-28)34-24-8-11-32-12-9-24/h1-13,15-18,23H,14,19,31H2,(H2,32,34,35,36)/t23-/m0/s1.

What are the key properties of 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-(furan-3-yl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazol-3-amine?

5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-(furan-3-yl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazol-3-amine has a molecular weight of 502.58 g/mol, XLogP of 5.97, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-(furan-3-yl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazol-3-amine is sourced from PubChem (CID 58941614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).