2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone

C24H21F3N8OS — CID 78147536

IUPAC2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone
SMILESCC1CN(c2scnc2-c2nc3ccc(C(F)(F)F)cc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21
InChIInChI=1S/C24H21F3N8OS/c1-14-10-33(7-8-35(14)19(36)11-34-12-29-17-3-2-6-28-22(17)34)23-20(30-13-37-23)21-31-16-5-4-15(24(25,26)27)9-18(16)32-21/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,31,32)
InChIKeyRWYWRUUVNQAIPY-UHFFFAOYSA-N
MW526.55 g/mol
LogP4.19
Rot. Bonds4

About 2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone

2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone (PubChem CID 78147536) has the molecular formula C24H21F3N8OS and a molecular weight of 526.55 g/mol. Its IUPAC name is 2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone
PubChem CID78147536
Molecular FormulaC24H21F3N8OS
Molecular Weight526.55 g/mol
Exact Mass526.15
IUPAC Name2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone
SMILESCC1CN(c2scnc2-c2nc3ccc(C(F)(F)F)cc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21
InChIInChI=1S/C24H21F3N8OS/c1-14-10-33(7-8-35(14)19(36)11-34-12-29-17-3-2-6-28-22(17)34)23-20(30-13-37-23)21-31-16-5-4-15(24(25,26)27)9-18(16)32-21/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,31,32)
InChIKeyRWYWRUUVNQAIPY-UHFFFAOYSA-N
XLogP4.19
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone (CID 78147536) is 2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone is CC1CN(c2scnc2-c2nc3ccc(C(F)(F)F)cc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21.
What is the InChIKey of 2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone?
The InChIKey is RWYWRUUVNQAIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N8OS/c1-14-10-33(7-8-35(14)19(36)11-34-12-29-17-3-2-6-28-22(17)34)23-20(30-13-37-23)21-31-16-5-4-15(24(25,26)27)9-18(16)32-21/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,31,32).
What are the key properties of 2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone?
2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone has a molecular weight of 526.55 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 78147536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).