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

C22H18F2N4O2S — CID 168934065

IUPAC[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCc1c(C2CN(C(=O)c3cc(-c4ccc(F)cc4F)on3)Cc3ccsc32)cnn1C
InChIInChI=1S/C22H18F2N4O2S/c1-12-16(9-25-27(12)2)17-11-28(10-13-5-6-31-21(13)17)22(29)19-8-20(30-26-19)15-4-3-14(23)7-18(15)24/h3-9,17H,10-11H2,1-2H3
InChIKeyXVICRKGJCMVPKL-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.51
Rot. Bonds3

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

[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 168934065) has the molecular formula C22H18F2N4O2S and a molecular weight of 440.48 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID168934065
Molecular FormulaC22H18F2N4O2S
Molecular Weight440.48 g/mol
Exact Mass440.11
IUPAC Name[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCc1c(C2CN(C(=O)c3cc(-c4ccc(F)cc4F)on3)Cc3ccsc32)cnn1C
InChIInChI=1S/C22H18F2N4O2S/c1-12-16(9-25-27(12)2)17-11-28(10-13-5-6-31-21(13)17)22(29)19-8-20(30-26-19)15-4-3-14(23)7-18(15)24/h3-9,17H,10-11H2,1-2H3
InChIKeyXVICRKGJCMVPKL-UHFFFAOYSA-N
XLogP4.51
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R,7R)-7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 178047239
[4-(5-chloro-1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methanone
CID 171648826
[5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone
CID 168934023
[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 177169460
[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 177169465
5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide
CID 178030702
[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone
CID 166151546
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 121198515
[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methyl-1,3-dihydroisoquinolin-2-yl]methanone
CID 171648502
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 46968410
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 171620961
5-(2,4-difluorophenyl)-3-methyl-1,2-oxazole
CID 116868938

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 168934065) is [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is Cc1c(C2CN(C(=O)c3cc(-c4ccc(F)cc4F)on3)Cc3ccsc32)cnn1C.
What is the InChIKey of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is XVICRKGJCMVPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2S/c1-12-16(9-25-27(12)2)17-11-28(10-13-5-6-31-21(13)17)22(29)19-8-20(30-26-19)15-4-3-14(23)7-18(15)24/h3-9,17H,10-11H2,1-2H3.
What are the key properties of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 440.48 g/mol, XLogP of 4.51, 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]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 168934065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).