N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine

C28H27N7O — CID 137310738

About N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine

N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine (PubChem CID 137310738) has the molecular formula C28H27N7O and a molecular weight of 477.57 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
• PubChem CID: 137310738
• Molecular Formula: C28H27N7O
• Molecular Weight: 477.57 g/mol
• Exact Mass: 477.23
• IUPAC Name: N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
• SMILES: Cc1cn(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN(C)C)c6)cc45)cc23)cn1
• InChI: InChI=1S/C28H27N7O/c1-18-16-35(17-30-18)27-6-4-5-24-22(27)13-26(31-24)28-23-12-19(7-8-25(23)32-33-28)20-11-21(15-29-14-20)36-10-9-34(2)3/h4-8,11-17,31H,9-10H2,1-3H3,(H,32,33)
• InChIKey: NWZKGUPVORHJKN-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 87.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.57
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine?

The IUPAC name of N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine (CID 137310738) is N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine.

What is the SMILES notation for N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine?

The canonical SMILES for N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine is Cc1cn(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN(C)C)c6)cc45)cc23)cn1.

What is the InChIKey of N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine?

The InChIKey is NWZKGUPVORHJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O/c1-18-16-35(17-30-18)27-6-4-5-24-22(27)13-26(31-24)28-23-12-19(7-8-25(23)32-33-28)20-11-21(15-29-14-20)36-10-9-34(2)3/h4-8,11-17,31H,9-10H2,1-3H3,(H,32,33).

What are the key properties of N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine?

N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine has a molecular weight of 477.57 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 137310738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).