N-(3,4-dimethylphenyl)-5-[4-[[2-[[6-fluoro-2-methyl-3-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-methyl-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine

C44H39FN10O2 — CID 123384307

About N-(3,4-dimethylphenyl)-5-[4-[[2-[[6-fluoro-2-methyl-3-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-methyl-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine

N-(3,4-dimethylphenyl)-5-[4-[[2-[[6-fluoro-2-methyl-3-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-methyl-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 123384307) has the molecular formula C44H39FN10O2 and a molecular weight of 758.86 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-[4-[[2-[[6-fluoro-2-methyl-3-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-methyl-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-5-[4-[[2-[[6-fluoro-2-methyl-3-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-methyl-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine
• PubChem CID: 123384307
• Molecular Formula: C44H39FN10O2
• Molecular Weight: 758.86 g/mol
• Exact Mass: 758.32
• IUPAC Name: N-(3,4-dimethylphenyl)-5-[4-[[2-[[6-fluoro-2-methyl-3-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-methyl-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine
• SMILES: Cc1cc(Oc2ccc(-c3nc(Nc4ccc(F)c(Cc5cc(Oc6ccc(-c7nc(Nc8ccc(C)c(C)c8)n[nH]7)cc6)cc(C)n5)c4C)n[nH]3)cc2)ccn1
• InChI: InChI=1S/C44H39FN10O2/c1-25-6-11-32(20-26(25)2)48-43-50-41(52-54-43)30-9-14-35(15-10-30)57-37-22-28(4)47-33(23-37)24-38-29(5)40(17-16-39(38)45)49-44-51-42(53-55-44)31-7-12-34(13-8-31)56-36-18-19-46-27(3)21-36/h6-23H,24H2,1-5H3,(H2,48,50,52,54)(H2,49,51,53,55)
• InChIKey: WTGFXDNEYRZLCF-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 151.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.86
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-[4-[[2-[[6-fluoro-2-methyl-3-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-methyl-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine?

The IUPAC name of N-(3,4-dimethylphenyl)-5-[4-[[2-[[6-fluoro-2-methyl-3-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-methyl-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine (CID 123384307) is N-(3,4-dimethylphenyl)-5-[4-[[2-[[6-fluoro-2-methyl-3-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-methyl-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine.

What is the SMILES notation for N-(3,4-dimethylphenyl)-5-[4-[[2-[[6-fluoro-2-methyl-3-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-methyl-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine?

The canonical SMILES for N-(3,4-dimethylphenyl)-5-[4-[[2-[[6-fluoro-2-methyl-3-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-methyl-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine is Cc1cc(Oc2ccc(-c3nc(Nc4ccc(F)c(Cc5cc(Oc6ccc(-c7nc(Nc8ccc(C)c(C)c8)n[nH]7)cc6)cc(C)n5)c4C)n[nH]3)cc2)ccn1.

What is the InChIKey of N-(3,4-dimethylphenyl)-5-[4-[[2-[[6-fluoro-2-methyl-3-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-methyl-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine?

The InChIKey is WTGFXDNEYRZLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H39FN10O2/c1-25-6-11-32(20-26(25)2)48-43-50-41(52-54-43)30-9-14-35(15-10-30)57-37-22-28(4)47-33(23-37)24-38-29(5)40(17-16-39(38)45)49-44-51-42(53-55-44)31-7-12-34(13-8-31)56-36-18-19-46-27(3)21-36/h6-23H,24H2,1-5H3,(H2,48,50,52,54)(H2,49,51,53,55).

What are the key properties of N-(3,4-dimethylphenyl)-5-[4-[[2-[[6-fluoro-2-methyl-3-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-methyl-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine?

N-(3,4-dimethylphenyl)-5-[4-[[2-[[6-fluoro-2-methyl-3-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-methyl-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 758.86 g/mol, XLogP of 10.39, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-5-[4-[[2-[[6-fluoro-2-methyl-3-[[5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-methyl-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 123384307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).