2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine

C53H54F2N12O3 — CID 158154707

IUPAC2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2c(cn1)cnn2C.Cc1ccc2nccn2c1C.Cc1cccc2c1OC(F)(F)O2.Cc1cccn2ncnc12.Cc1ccoc1.Cc1cnc2ccccn12.Cn1ncc2ccccc21
InChIInChI=1S/C9H10N2.C8H6F2O2.C8H9N3.2C8H8N2.C7H7N3.C5H6O/c1-7-3-4-9-10-5-6-11(9)8(7)2;1-5-3-2-4-6-7(5)12-8(9,10)11-6;1-6-3-8-7(4-9-6)5-10-11(8)2;1-10-8-5-3-2-4-7(8)6-9-10;1-7-6-9-8-4-2-3-5-10(7)8;1-6-3-2-4-10-7(6)8-5-9-10;1-5-2-3-6-4-5/h3-6H,1-2H3;2-4H,1H3;3-5H,1-2H3;2*2-6H,1H3;2-5H,1H3;2-4H,1H3
InChIKeyFVNPYHRGTJSIAT-UHFFFAOYSA-N
MW945.09 g/mol
LogP11.39
Rot. Bonds

About 2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine

2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158154707) has the molecular formula C53H54F2N12O3 and a molecular weight of 945.09 g/mol. Its IUPAC name is 2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID158154707
Molecular FormulaC53H54F2N12O3
Molecular Weight945.09 g/mol
Exact Mass944.44
IUPAC Name2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2c(cn1)cnn2C.Cc1ccc2nccn2c1C.Cc1cccc2c1OC(F)(F)O2.Cc1cccn2ncnc12.Cc1ccoc1.Cc1cnc2ccccn12.Cn1ncc2ccccc21
InChIInChI=1S/C9H10N2.C8H6F2O2.C8H9N3.2C8H8N2.C7H7N3.C5H6O/c1-7-3-4-9-10-5-6-11(9)8(7)2;1-5-3-2-4-6-7(5)12-8(9,10)11-6;1-6-3-8-7(4-9-6)5-10-11(8)2;1-10-8-5-3-2-4-7(8)6-9-10;1-7-6-9-8-4-2-3-5-10(7)8;1-6-3-2-4-10-7(6)8-5-9-10;1-5-2-3-6-4-5/h3-6H,1-2H3;2-4H,1H3;3-5H,1-2H3;2*2-6H,1H3;2-5H,1H3;2-4H,1H3
InChIKeyFVNPYHRGTJSIAT-UHFFFAOYSA-N
XLogP11.39
TPSA144.92 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500945.09
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

2,2-Difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157534491
2,2-Difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157858393
tris(3-(2H-dibenzofuran-2-id-3-yl)pyrido[2,3-b]pyrazine);tris(iridium);1-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridin-1-ium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium;1-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-1-ium
CID 157860594
5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine
CID 158144951
5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene
CID 159092396
2,2-Difluoro-4-methyl-1,3-benzodioxole;3,7-dimethylimidazo[1,2-a]pyrimidine;3,7-dimethylimidazo[1,2-b][1,2,4]triazine;1,6-dimethylpyrazolo[4,5-c]pyridine;1-hydroxy-2-methylpyridin-1-ium;1-methylindazole;7-methyl-2-methylidene-1,3-dihydroimidazo[4,5-c]pyridine;2,3,5-trimethylpyrazine;2,4,5-trimethylpyrimidine;1,2-xylene
CID 159566807
2,2-Difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;2,3-dimethylthiophene;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,3,5-trimethylfuran;1,2-xylene
CID 160047838
1,3-benzodioxole;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-2H-chromene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;1-methylbenzimidazole;1-methylbenzotriazole;1-methyl-5,6-dihydro-4H-indazol-7-one;bis(1-methylimidazole);1-methylindazole;1-methylpyrazole;1-methylpyrrole
CID 161948253
tris(6-(3H-dibenzofuran-3-id-2-yl)pyrido[2,3-b]pyrazine);tris(iridium);1-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridin-1-ium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium;1-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-1-ium
CID 161987456
(8R)-8-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 162095653
2,2-Difluoro-4-methyl-1,3-benzodioxole;1,6-dimethylpyrazolo[4,5-c]pyridine;7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylindazole;1-methylpyridin-2-one;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 162180057
2-(2,2-difluoro-1,3-benzodioxol-4-yl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-ethylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-propan-2-ylpyrimidin-5-yl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167632185

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 158154707) is 2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc2c(cn1)cnn2C.Cc1ccc2nccn2c1C.Cc1cccc2c1OC(F)(F)O2.Cc1cccn2ncnc12.Cc1ccoc1.Cc1cnc2ccccn12.Cn1ncc2ccccc21.
What is the InChIKey of 2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is FVNPYHRGTJSIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C8H6F2O2.C8H9N3.2C8H8N2.C7H7N3.C5H6O/c1-7-3-4-9-10-5-6-11(9)8(7)2;1-5-3-2-4-6-7(5)12-8(9,10)11-6;1-6-3-8-7(4-9-6)5-10-11(8)2;1-10-8-5-3-2-4-7(8)6-9-10;1-7-6-9-8-4-2-3-5-10(7)8;1-6-3-2-4-10-7(6)8-5-9-10;1-5-2-3-6-4-5/h3-6H,1-2H3;2-4H,1H3;3-5H,1-2H3;2*2-6H,1H3;2-5H,1H3;2-4H,1H3.
What are the key properties of 2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 945.09 g/mol, XLogP of 11.39, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158154707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).