2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline

C43H32F2N10OS — CID 155313683

IUPAC2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
SMILESO=S(CCc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C43H32F2N10OS/c44-31-13-8-27(9-14-31)39-40(28-18-21-46-22-19-28)54-43(53-39)29-10-15-33(16-11-29)57(56)23-20-32-4-3-7-36(50-32)42-41(30-12-17-38-48-26-49-55(38)25-30)51-37(52-42)24-47-35-6-2-1-5-34(35)45/h1-19,21-22,25-26,47H,20,23-24H2,(H,51,52)(H,53,54)
InChIKeyUUMVOUDXGVKPLJ-UHFFFAOYSA-N
MW774.86 g/mol
LogP8.54
Rot. Bonds12

About 2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline

2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline (PubChem CID 155313683) has the molecular formula C43H32F2N10OS and a molecular weight of 774.86 g/mol. Its IUPAC name is 2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
PubChem CID155313683
Molecular FormulaC43H32F2N10OS
Molecular Weight774.86 g/mol
Exact Mass774.24
IUPAC Name2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
SMILESO=S(CCc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C43H32F2N10OS/c44-31-13-8-27(9-14-31)39-40(28-18-21-46-22-19-28)54-43(53-39)29-10-15-33(16-11-29)57(56)23-20-32-4-3-7-36(50-32)42-41(30-12-17-38-48-26-49-55(38)25-30)51-37(52-42)24-47-35-6-2-1-5-34(35)45/h1-19,21-22,25-26,47H,20,23-24H2,(H,51,52)(H,53,54)
InChIKeyUUMVOUDXGVKPLJ-UHFFFAOYSA-N
XLogP8.54
TPSA142.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.86
LogP ≤ 58.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline?
The IUPAC name of 2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline (CID 155313683) is 2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline?
The canonical SMILES for 2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline is O=S(CCc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline?
The InChIKey is UUMVOUDXGVKPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32F2N10OS/c44-31-13-8-27(9-14-31)39-40(28-18-21-46-22-19-28)54-43(53-39)29-10-15-33(16-11-29)57(56)23-20-32-4-3-7-36(50-32)42-41(30-12-17-38-48-26-49-55(38)25-30)51-37(52-42)24-47-35-6-2-1-5-34(35)45/h1-19,21-22,25-26,47H,20,23-24H2,(H,51,52)(H,53,54).
What are the key properties of 2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline?
2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline has a molecular weight of 774.86 g/mol, XLogP of 8.54, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[5-[6-[2-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]sulfinylethyl]-2-pyridinyl]-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 155313683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).