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

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 Name: 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
• Molecular Formula: C₇₃H₇₉F₂N₁₉O₅S₃
• Molecular Weight: 1436.76 g/mol
• Exact Mass: 1435.56
• IUPAC Name: 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
• SMILES: Cc1cc2c(cn1)cnn2C.Cc1cccc2c1OC(F)(F)O2.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnc2ncccn12.Cc1cnc2nccnn12.Cc1cncc2[nH]c(=O)[nH]c12.Cc1cncs1.Cn1ccccc1=O.Cn1ccnc1.Cn1ncc2ccccc21
• InChI: 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
• InChIKey: ZOXAFAUJYWDKHH-UHFFFAOYSA-N
• XLogP: 15.15
• TPSA: 267.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1436.76
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

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).

Sources

• PubChem CID 162180057 — identifiers, structure, computed properties (public domain)

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