6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole

C26H23F2N7 — CID 142471832

IUPAC6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
SMILESFc1ccc2c(Cc3nnc(Cc4c[nH]c5cc(F)ccc45)n3CCCc3cnc[nH]3)c[nH]c2c1
InChIInChI=1S/C26H23F2N7/c27-18-3-5-21-16(12-30-23(21)10-18)8-25-33-34-26(35(25)7-1-2-20-14-29-15-32-20)9-17-13-31-24-11-19(28)4-6-22(17)24/h3-6,10-15,30-31H,1-2,7-9H2,(H,29,32)
InChIKeyVGAIZXCXOWVPIB-UHFFFAOYSA-N
MW471.52 g/mol
LogP5.06
Rot. Bonds8

About 6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole

6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole (PubChem CID 142471832) has the molecular formula C26H23F2N7 and a molecular weight of 471.52 g/mol. Its IUPAC name is 6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
PubChem CID142471832
Molecular FormulaC26H23F2N7
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC Name6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
SMILESFc1ccc2c(Cc3nnc(Cc4c[nH]c5cc(F)ccc45)n3CCCc3cnc[nH]3)c[nH]c2c1
InChIInChI=1S/C26H23F2N7/c27-18-3-5-21-16(12-30-23(21)10-18)8-25-33-34-26(35(25)7-1-2-20-14-29-15-32-20)9-17-13-31-24-11-19(28)4-6-22(17)24/h3-6,10-15,30-31H,1-2,7-9H2,(H,29,32)
InChIKeyVGAIZXCXOWVPIB-UHFFFAOYSA-N
XLogP5.06
TPSA90.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole?
The IUPAC name of 6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole (CID 142471832) is 6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole is Fc1ccc2c(Cc3nnc(Cc4c[nH]c5cc(F)ccc45)n3CCCc3cnc[nH]3)c[nH]c2c1.
What is the InChIKey of 6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole?
The InChIKey is VGAIZXCXOWVPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N7/c27-18-3-5-21-16(12-30-23(21)10-18)8-25-33-34-26(35(25)7-1-2-20-14-29-15-32-20)9-17-13-31-24-11-19(28)4-6-22(17)24/h3-6,10-15,30-31H,1-2,7-9H2,(H,29,32).
What are the key properties of 6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole?
6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole has a molecular weight of 471.52 g/mol, XLogP of 5.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole is sourced from PubChem (CID 142471832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).