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

C24H22F2N6 — CID 142471924

IUPAC6-fluoro-3-[[5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
SMILESFc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2cnc[nH]2)cc1
InChIInChI=1S/C24H22F2N6/c25-18-5-3-16(4-6-18)10-23-30-31-24(32(23)9-1-2-20-14-27-15-29-20)11-17-13-28-22-12-19(26)7-8-21(17)22/h3-8,12-15,28H,1-2,9-11H2,(H,27,29)
InChIKeyLDZZSYBRKFPWJN-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.58
Rot. Bonds8

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

6-fluoro-3-[[5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole (PubChem CID 142471924) has the molecular formula C24H22F2N6 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6-fluoro-3-[[5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[[5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
PubChem CID142471924
Molecular FormulaC24H22F2N6
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name6-fluoro-3-[[5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
SMILESFc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2cnc[nH]2)cc1
InChIInChI=1S/C24H22F2N6/c25-18-5-3-16(4-6-18)10-23-30-31-24(32(23)9-1-2-20-14-27-15-29-20)11-17-13-28-22-12-19(26)7-8-21(17)22/h3-8,12-15,28H,1-2,9-11H2,(H,27,29)
InChIKeyLDZZSYBRKFPWJN-UHFFFAOYSA-N
XLogP4.58
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[5-[(4-fluorophenyl)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-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole (CID 142471924) is 6-fluoro-3-[[5-[(4-fluorophenyl)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-[(4-fluorophenyl)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-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole is Fc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2cnc[nH]2)cc1.
What is the InChIKey of 6-fluoro-3-[[5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole?
The InChIKey is LDZZSYBRKFPWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6/c25-18-5-3-16(4-6-18)10-23-30-31-24(32(23)9-1-2-20-14-27-15-29-20)11-17-13-28-22-12-19(26)7-8-21(17)22/h3-8,12-15,28H,1-2,9-11H2,(H,27,29).
What are the key properties of 6-fluoro-3-[[5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole?
6-fluoro-3-[[5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole has a molecular weight of 432.48 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole is sourced from PubChem (CID 142471924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).