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

C23H20F2N4O2S — CID 168933997

IUPAC[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[4-(1,3,5-trimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone
SMILESCc1nn(C)c(C)c1C1CN(C(=O)c2cc(-c3ccc(F)cc3F)on2)Cc2sccc21
InChIInChI=1S/C23H20F2N4O2S/c1-12-22(13(2)28(3)26-12)17-10-29(11-21-15(17)6-7-32-21)23(30)19-9-20(31-27-19)16-5-4-14(24)8-18(16)25/h4-9,17H,10-11H2,1-3H3
InChIKeyDWEQLZGDCOCFCU-UHFFFAOYSA-N
MW454.50 g/mol
LogP4.82
Rot. Bonds3

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

[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[4-(1,3,5-trimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone (PubChem CID 168933997) has the molecular formula C23H20F2N4O2S and a molecular weight of 454.50 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[4-(1,3,5-trimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[4-(1,3,5-trimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone
PubChem CID168933997
Molecular FormulaC23H20F2N4O2S
Molecular Weight454.50 g/mol
Exact Mass454.13
IUPAC Name[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[4-(1,3,5-trimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone
SMILESCc1nn(C)c(C)c1C1CN(C(=O)c2cc(-c3ccc(F)cc3F)on2)Cc2sccc21
InChIInChI=1S/C23H20F2N4O2S/c1-12-22(13(2)28(3)26-12)17-10-29(11-21-15(17)6-7-32-21)23(30)19-9-20(31-27-19)16-5-4-14(24)8-18(16)25/h4-9,17H,10-11H2,1-3H3
InChIKeyDWEQLZGDCOCFCU-UHFFFAOYSA-N
XLogP4.82
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[4-(1,3,5-trimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[4-(1,3,5-trimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone?
The IUPAC name of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[4-(1,3,5-trimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone (CID 168933997) is [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[4-(1,3,5-trimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone.
What is the SMILES notation for [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[4-(1,3,5-trimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone?
The canonical SMILES for [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[4-(1,3,5-trimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone is Cc1nn(C)c(C)c1C1CN(C(=O)c2cc(-c3ccc(F)cc3F)on2)Cc2sccc21.
What is the InChIKey of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[4-(1,3,5-trimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone?
The InChIKey is DWEQLZGDCOCFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2S/c1-12-22(13(2)28(3)26-12)17-10-29(11-21-15(17)6-7-32-21)23(30)19-9-20(31-27-19)16-5-4-14(24)8-18(16)25/h4-9,17H,10-11H2,1-3H3.
What are the key properties of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[4-(1,3,5-trimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone?
[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[4-(1,3,5-trimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone has a molecular weight of 454.50 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[4-(1,3,5-trimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone is sourced from PubChem (CID 168933997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).