[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone

C23H20F2N4O2S — CID 178047231

About [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone

[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone (PubChem CID 178047231) has the molecular formula C23H20F2N4O2S and a molecular weight of 454.50 g/mol. Its IUPAC name is [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone
• PubChem CID: 178047231
• Molecular Formula: C23H20F2N4O2S
• Molecular Weight: 454.50 g/mol
• Exact Mass: 454.13
• IUPAC Name: [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone
• SMILES: Cc1c(C2CN(C(=O)c3cc(-c4ccc(F)cc4F)no3)C(C)c3sccc32)cnn1C
• InChI: InChI=1S/C23H20F2N4O2S/c1-12-17(10-26-28(12)3)18-11-29(13(2)22-15(18)6-7-32-22)23(30)21-9-20(27-31-21)16-5-4-14(24)8-19(16)25/h4-10,13,18H,11H2,1-3H3
• InChIKey: FVKGIRBMDDAUAN-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 64.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.50
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone?

The IUPAC name of [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone (CID 178047231) is [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone.

What is the SMILES notation for [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone?

The canonical SMILES for [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone is Cc1c(C2CN(C(=O)c3cc(-c4ccc(F)cc4F)no3)C(C)c3sccc32)cnn1C.

What is the InChIKey of [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone?

The InChIKey is FVKGIRBMDDAUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2S/c1-12-17(10-26-28(12)3)18-11-29(13(2)22-15(18)6-7-32-22)23(30)21-9-20(27-31-21)16-5-4-14(24)8-19(16)25/h4-10,13,18H,11H2,1-3H3.

What are the key properties of [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone?

[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone has a molecular weight of 454.50 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone is sourced from PubChem (CID 178047231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).