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

C23H21FN4O2S — CID 178047229

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

[7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone (PubChem CID 178047229) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is [7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

• Compound Name: [7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone
• PubChem CID: 178047229
• Molecular Formula: C23H21FN4O2S
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.14
• IUPAC Name: [7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone
• SMILES: Cc1c(C2CN(C(=O)c3cc(-c4ccccc4F)no3)C(C)c3ccsc32)cnn1C
• InChI: InChI=1S/C23H21FN4O2S/c1-13-17(11-25-27(13)3)18-12-28(14(2)15-8-9-31-22(15)18)23(29)21-10-20(26-30-21)16-6-4-5-7-19(16)24/h4-11,14,18H,12H2,1-3H3
• InChIKey: QBUSJEQCDLULMO-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 64.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone (CID 178047229) is [7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone.

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

The canonical SMILES for [7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone is Cc1c(C2CN(C(=O)c3cc(-c4ccccc4F)no3)C(C)c3ccsc32)cnn1C.

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

The InChIKey is QBUSJEQCDLULMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c1-13-17(11-25-27(13)3)18-12-28(14(2)15-8-9-31-22(15)18)23(29)21-10-20(26-30-21)16-6-4-5-7-19(16)24/h4-11,14,18H,12H2,1-3H3.

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

[7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone has a molecular weight of 436.51 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 178047229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).