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

C73H79F2N19O5S3 — CID 162180057

IUPAC2,2-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
SMILESCc1cc2c(cn1)cnn2C.Cc1cccc2c1OC(F)(F)O2.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnc2ncccn12.Cc1cnc2nccnn12.Cc1cncc2[nH]c(=O)[nH]c12.Cc1cncs1.Cn1ccccc1=O.Cn1ccnc1.Cn1ncc2ccccc21
InChIInChI=1S/C8H6F2O2.C8H9N3.C8H8N2.C7H7N3O.C7H7N3.C6H6N4.C6H7NO.C5H6O.2C5H6S.C4H6N2.C4H5NS/c1-5-3-2-4-6-7(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;1-4-2-8-3-5-6(4)10-7(11)9-5;1-6-5-9-7-8-3-2-4-10(6)7;1-5-4-8-6-7-2-3-9-10(5)6;1-7-5-3-2-4-6(7)8;2*1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-4-2-5-3-6-4/h2-4H,1H3;3-5H,1-2H3;2-6H,1H3;2-3H,1H3,(H2,9,10,11);2-5H,1H3;2-4H,1H3;2-5H,1H3;4*2-4H,1H3;2-3H,1H3
InChIKeyZOXAFAUJYWDKHH-UHFFFAOYSA-N
MW1436.76 g/mol
LogP15.15
Rot. Bonds

About 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

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 (PubChem CID 162180057) has the molecular formula C73H79F2N19O5S3 and a molecular weight of 1436.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2-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
PubChem CID162180057
Molecular FormulaC73H79F2N19O5S3
Molecular Weight1436.76 g/mol
Exact Mass1435.56
IUPAC Name2,2-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
SMILESCc1cc2c(cn1)cnn2C.Cc1cccc2c1OC(F)(F)O2.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnc2ncccn12.Cc1cnc2nccnn12.Cc1cncc2[nH]c(=O)[nH]c12.Cc1cncs1.Cn1ccccc1=O.Cn1ccnc1.Cn1ncc2ccccc21
InChIInChI=1S/C8H6F2O2.C8H9N3.C8H8N2.C7H7N3O.C7H7N3.C6H6N4.C6H7NO.C5H6O.2C5H6S.C4H6N2.C4H5NS/c1-5-3-2-4-6-7(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;1-4-2-8-3-5-6(4)10-7(11)9-5;1-6-5-9-7-8-3-2-4-10(6)7;1-5-4-8-6-7-2-3-9-10(5)6;1-7-5-3-2-4-6(7)8;2*1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-4-2-5-3-6-4/h2-4H,1H3;3-5H,1-2H3;2-6H,1H3;2-3H,1H3,(H2,9,10,11);2-5H,1H3;2-4H,1H3;2-5H,1H3;4*2-4H,1H3;2-3H,1H3
InChIKeyZOXAFAUJYWDKHH-UHFFFAOYSA-N
XLogP15.15
TPSA267.65 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001436.76
LogP ≤ 515.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

benzene;1,3-benzodioxole;tris(1-benzothiophene);bis(cyclopenta-1,3-diene);2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);methane;1-methylimidazole;1-methylindole;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;bis(piperidine);pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thieno[3,2-c]pyridine;1,2,4-triazine;1,3,5-triazine
CID 157505301
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
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
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
bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)imidazole;1-(3-propan-2-ylphenyl)pyrazole;3-(3-propan-2-ylphenyl)pyridine;1-(3-propan-2-ylphenyl)tetrazole;1-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1,2,4-triazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;6-propan-2-yl-1H-pyridin-2-one
CID 157187726
1-benzofuran;1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;5-methyl-1,3-benzodioxole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene
CID 157515258
1,3-benzodioxole;bis(1-benzofuran);bis(1-benzothiophene);bis(imidazo[1,2-a]pyridine);tris(1H-indole);pentadecakis(2-methylpropane);bis(4,5,6,7-tetrahydro-1-benzofuran);bis(4,5,6,7-tetrahydro-1H-indole);[1,2,4]triazolo[4,3-a]pyridine
CID 157552619
1,3-benzothiazole;cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyrazine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);pyrazine;pyrazolo[1,5-a]pyrimidine;tris(pyridine);3H-pyrrole;1,3-thiazole;thiophene
CID 157693162
1,3-benzothiazole;cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyrazine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;bis(pyridine);pyrimidine;1,3-thiazole;thiophene
CID 158596319
benzene;1-benzofuran;1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;5-methyl-1,3-benzodioxole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene
CID 158645114
ethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 158829361
1H-benzimidazole;1,3-benzothiazole;cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyrazine;imidazo[1,2-b]pyridazine;2H-indene;1H-indole;methane;pyrazine;pyrazolo[1,5-a]pyrimidine;pyridazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;thiophene
CID 158900507

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c(cn1)cnn2C.Cc1cccc2c1OC(F)(F)O2.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnc2ncccn12.Cc1cnc2nccnn12.Cc1cncc2[nH]c(=O)[nH]c12.Cc1cncs1.Cn1ccccc1=O.Cn1ccnc1.Cn1ncc2ccccc21.
What is the InChIKey of 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?
The InChIKey is ZOXAFAUJYWDKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O2.C8H9N3.C8H8N2.C7H7N3O.C7H7N3.C6H6N4.C6H7NO.C5H6O.2C5H6S.C4H6N2.C4H5NS/c1-5-3-2-4-6-7(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;1-4-2-8-3-5-6(4)10-7(11)9-5;1-6-5-9-7-8-3-2-4-10(6)7;1-5-4-8-6-7-2-3-9-10(5)6;1-7-5-3-2-4-6(7)8;2*1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-4-2-5-3-6-4/h2-4H,1H3;3-5H,1-2H3;2-6H,1H3;2-3H,1H3,(H2,9,10,11);2-5H,1H3;2-4H,1H3;2-5H,1H3;4*2-4H,1H3;2-3H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1436.76 g/mol, XLogP of 15.15, 0 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162180057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).