2-[1-(5-methylthiophen-2-yl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(1-methylimidazol-4-yl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol

C36H32F3N7O2S — CID 68812936

About 2-[1-(5-methylthiophen-2-yl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(1-methylimidazol-4-yl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol

2-[1-(5-methylthiophen-2-yl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(1-methylimidazol-4-yl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol (PubChem CID 68812936) has the molecular formula C36H32F3N7O2S and a molecular weight of 683.76 g/mol. Its IUPAC name is 2-[1-(5-methylthiophen-2-yl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(1-methylimidazol-4-yl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol.

Molecular Properties

• Compound Name: 2-[1-(5-methylthiophen-2-yl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(1-methylimidazol-4-yl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol
• PubChem CID: 68812936
• Molecular Formula: C36H32F3N7O2S
• Molecular Weight: 683.76 g/mol
• Exact Mass: 683.23
• IUPAC Name: 2-[1-(5-methylthiophen-2-yl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(1-methylimidazol-4-yl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol
• SMILES: Cc1ccc(-n2ncc3cc(CCO)ccc32)s1.Cn1cnc(-n2ncc3cc(C(O)(c4cn(C)c5ccccc45)C(F)(F)F)ccc32)c1
• InChI: InChI=1S/C22H18F3N5O.C14H14N2OS/c1-28-12-20(26-13-28)30-18-8-7-15(9-14(18)10-27-30)21(31,22(23,24)25)17-11-29(2)19-6-4-3-5-16(17)19;1-10-2-5-14(18-10)16-13-4-3-11(6-7-17)8-12(13)9-15-16/h3-13,31H,1-2H3;2-5,8-9,17H,6-7H2,1H3
• InChIKey: LZLXMFWEBKISSC-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 98.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.76
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylthiophen-2-yl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(1-methylimidazol-4-yl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol?

The IUPAC name of 2-[1-(5-methylthiophen-2-yl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(1-methylimidazol-4-yl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol (CID 68812936) is 2-[1-(5-methylthiophen-2-yl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(1-methylimidazol-4-yl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol.

What is the SMILES notation for 2-[1-(5-methylthiophen-2-yl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(1-methylimidazol-4-yl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol?

The canonical SMILES for 2-[1-(5-methylthiophen-2-yl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(1-methylimidazol-4-yl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol is Cc1ccc(-n2ncc3cc(CCO)ccc32)s1.Cn1cnc(-n2ncc3cc(C(O)(c4cn(C)c5ccccc45)C(F)(F)F)ccc32)c1.

What is the InChIKey of 2-[1-(5-methylthiophen-2-yl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(1-methylimidazol-4-yl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol?

The InChIKey is LZLXMFWEBKISSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O.C14H14N2OS/c1-28-12-20(26-13-28)30-18-8-7-15(9-14(18)10-27-30)21(31,22(23,24)25)17-11-29(2)19-6-4-3-5-16(17)19;1-10-2-5-14(18-10)16-13-4-3-11(6-7-17)8-12(13)9-15-16/h3-13,31H,1-2H3;2-5,8-9,17H,6-7H2,1H3.

What are the key properties of 2-[1-(5-methylthiophen-2-yl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(1-methylimidazol-4-yl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol?

2-[1-(5-methylthiophen-2-yl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(1-methylimidazol-4-yl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol has a molecular weight of 683.76 g/mol, XLogP of 6.98, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(5-methylthiophen-2-yl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(1-methylimidazol-4-yl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol is sourced from PubChem (CID 68812936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).