6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole

C29H18F6N6OS — CID 142362279

IUPAC6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole
SMILESCSc1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cn1.FC(F)(F)c1ncc2ccc(-c3nc4ccccc4o3)cn12
InChIInChI=1S/C15H8F3N3O.C14H10F3N3S/c16-15(17,18)14-19-7-10-6-5-9(8-21(10)14)13-20-11-3-1-2-4-12(11)22-13;1-21-12-5-3-9(6-18-12)10-2-4-11-7-19-13(14(15,16)17)20(11)8-10/h1-8H;2-8H,1H3
InChIKeyCDAKQXRYDANKEI-UHFFFAOYSA-N
MW612.56 g/mol
LogP8.30
Rot. Bonds3

About 6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole

6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole (PubChem CID 142362279) has the molecular formula C29H18F6N6OS and a molecular weight of 612.56 g/mol. Its IUPAC name is 6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole
PubChem CID142362279
Molecular FormulaC29H18F6N6OS
Molecular Weight612.56 g/mol
Exact Mass612.12
IUPAC Name6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole
SMILESCSc1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cn1.FC(F)(F)c1ncc2ccc(-c3nc4ccccc4o3)cn12
InChIInChI=1S/C15H8F3N3O.C14H10F3N3S/c16-15(17,18)14-19-7-10-6-5-9(8-21(10)14)13-20-11-3-1-2-4-12(11)22-13;1-21-12-5-3-9(6-18-12)10-2-4-11-7-19-13(14(15,16)17)20(11)8-10/h1-8H;2-8H,1H3
InChIKeyCDAKQXRYDANKEI-UHFFFAOYSA-N
XLogP8.30
TPSA73.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.56
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-{[2-(Pyrrolidin-1-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperidin-3-yl)-1,3-benzoxazole
CID 16187543
2-(2-Fluorophenyl)-5-methyl-4-{[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-C]pyridin-3-YL]methyl}-1,3-oxazole
CID 16011870
5-Methyl-2-(3-methylphenyl)-4-{[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-C]pyridin-3-YL]methyl}-1,3-oxazole
CID 16011872
5-Methyl-2-phenyl-4-{[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-B]pyridin-3-YL]methyl}-1,3-oxazole
CID 16021067
2-[2,4-Bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole
CID 86578015
N-(5-(5-(difluoromethyl)picolinoyl)-5,6-dihydro-4H-pyrrolo[3,4-d]thiazol-2-yl)-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylnicotinamide
CID 176834332
4-[[2-[(4-Fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 20908541
4-[(2-{[(3-Fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-B]pyridin-3-YL)methyl]-5-methyl-2-(thiophen-2-YL)-1,3-oxazole
CID 20908645
2-[3-(Trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole
CID 66850021
5-Fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine
CID 91443049
[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118241112
(3,3-Difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118241113

Frequently Asked Questions

What is the IUPAC name of 6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole?
The IUPAC name of 6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole (CID 142362279) is 6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole.
What is the SMILES notation for 6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole?
The canonical SMILES for 6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole is CSc1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cn1.FC(F)(F)c1ncc2ccc(-c3nc4ccccc4o3)cn12.
What is the InChIKey of 6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole?
The InChIKey is CDAKQXRYDANKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3O.C14H10F3N3S/c16-15(17,18)14-19-7-10-6-5-9(8-21(10)14)13-20-11-3-1-2-4-12(11)22-13;1-21-12-5-3-9(6-18-12)10-2-4-11-7-19-13(14(15,16)17)20(11)8-10/h1-8H;2-8H,1H3.
What are the key properties of 6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole?
6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole has a molecular weight of 612.56 g/mol, XLogP of 8.30, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methylsulfanyl-3-pyridinyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole is sourced from PubChem (CID 142362279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).