6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

C20H21FN8O2S — CID 44571363

IUPAC6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc(-c2[nH]c(N3CCN(S(C)(=O)=O)CC3)nc2-c2ccc3ncnn3c2)ccc1F
InChIInChI=1S/C20H21FN8O2S/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)27-7-9-28(10-8-27)32(2,30)31/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)
InChIKeyBJFZENQVDHGYIC-UHFFFAOYSA-N
MW456.51 g/mol
LogP1.71
Rot. Bonds4

About 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 44571363) has the molecular formula C20H21FN8O2S and a molecular weight of 456.51 g/mol. Its IUPAC name is 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID44571363
Molecular FormulaC20H21FN8O2S
Molecular Weight456.51 g/mol
Exact Mass456.15
IUPAC Name6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc(-c2[nH]c(N3CCN(S(C)(=O)=O)CC3)nc2-c2ccc3ncnn3c2)ccc1F
InChIInChI=1S/C20H21FN8O2S/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)27-7-9-28(10-8-27)32(2,30)31/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)
InChIKeyBJFZENQVDHGYIC-UHFFFAOYSA-N
XLogP1.71
TPSA112.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine 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 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 44571363) is 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1nc(-c2[nH]c(N3CCN(S(C)(=O)=O)CC3)nc2-c2ccc3ncnn3c2)ccc1F.
What is the InChIKey of 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BJFZENQVDHGYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN8O2S/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)27-7-9-28(10-8-27)32(2,30)31/h3-6,11-12H,7-10H2,1-2H3,(H,25,26).
What are the key properties of 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 456.51 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-fluoro-6-methyl-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 44571363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).