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

C22H19F2N5O2S — CID 178047222

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

[3-(3,5-difluoro-2-pyridinyl)-1,2-oxazol-5-yl]-[7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 178047222) has the molecular formula C22H19F2N5O2S and a molecular weight of 455.49 g/mol. Its IUPAC name is [3-(3,5-difluoro-2-pyridinyl)-1,2-oxazol-5-yl]-[7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: [3-(3,5-difluoro-2-pyridinyl)-1,2-oxazol-5-yl]-[7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
• PubChem CID: 178047222
• Molecular Formula: C22H19F2N5O2S
• Molecular Weight: 455.49 g/mol
• Exact Mass: 455.12
• IUPAC Name: [3-(3,5-difluoro-2-pyridinyl)-1,2-oxazol-5-yl]-[7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
• SMILES: Cc1c(C2CN(C(=O)c3cc(-c4ncc(F)cc4F)no3)C(C)c3ccsc32)cnn1C
• InChI: InChI=1S/C22H19F2N5O2S/c1-11-15(9-26-28(11)3)16-10-29(12(2)14-4-5-32-21(14)16)22(30)19-7-18(27-31-19)20-17(24)6-13(23)8-25-20/h4-9,12,16H,10H2,1-3H3
• InChIKey: VMDJQHKLKVOJFM-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 77.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.49
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [3-(3,5-difluoro-2-pyridinyl)-1,2-oxazol-5-yl]-[7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 178047222) is [3-(3,5-difluoro-2-pyridinyl)-1,2-oxazol-5-yl]-[7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

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

The canonical SMILES for [3-(3,5-difluoro-2-pyridinyl)-1,2-oxazol-5-yl]-[7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is Cc1c(C2CN(C(=O)c3cc(-c4ncc(F)cc4F)no3)C(C)c3ccsc32)cnn1C.

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

The InChIKey is VMDJQHKLKVOJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2S/c1-11-15(9-26-28(11)3)16-10-29(12(2)14-4-5-32-21(14)16)22(30)19-7-18(27-31-19)20-17(24)6-13(23)8-25-20/h4-9,12,16H,10H2,1-3H3.

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

[3-(3,5-difluoro-2-pyridinyl)-1,2-oxazol-5-yl]-[7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 455.49 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3,5-difluoro-2-pyridinyl)-1,2-oxazol-5-yl]-[7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 178047222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).