[3-(2,4-difluorophenyl)-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

C23H20F2N4O2S — CID 178047242

IUPAC[3-(2,4-difluorophenyl)-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
SMILESCc1c(C2CN(C(=O)c3cc(-c4ccc(F)cc4F)no3)C(C)c3ccsc32)cnn1C
InChIInChI=1S/C23H20F2N4O2S/c1-12-17(10-26-28(12)3)18-11-29(13(2)15-6-7-32-22(15)18)23(30)21-9-20(27-31-21)16-5-4-14(24)8-19(16)25/h4-10,13,18H,11H2,1-3H3
InChIKeyVGZFKXRLNDYDPA-UHFFFAOYSA-N
MW454.50 g/mol
LogP5.07
Rot. Bonds3

About [3-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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 178047242) 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]-[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-(2,4-difluorophenyl)-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 CID178047242
Molecular FormulaC23H20F2N4O2S
Molecular Weight454.50 g/mol
Exact Mass454.13
IUPAC Name[3-(2,4-difluorophenyl)-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
SMILESCc1c(C2CN(C(=O)c3cc(-c4ccc(F)cc4F)no3)C(C)c3ccsc32)cnn1C
InChIInChI=1S/C23H20F2N4O2S/c1-12-17(10-26-28(12)3)18-11-29(13(2)15-6-7-32-22(15)18)23(30)21-9-20(27-31-21)16-5-4-14(24)8-19(16)25/h4-10,13,18H,11H2,1-3H3
InChIKeyVGZFKXRLNDYDPA-UHFFFAOYSA-N
XLogP5.07
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.50
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(2,4-difluorophenyl)-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 with MolForge

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Related Compounds

1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 24982323
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 24980582
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
CID 24980478
[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 16673224
1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-[4-(5-phenyl-3-isoxazolyl)-2-thiazolyl]piperidine
CID 68742226
N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 156248286
(3S)-3-[5-[2-(6-fluoro-1,3-benzothiazol-2-yl)acetyl]-1,2-oxazol-3-yl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one
CID 158124448
[3-(2,4-Difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone
CID 166151606
3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide
CID 167451981
[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
[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R,7R)-4,7-dimethyl-4-(1-methylpyrazol-4-yl)-5,7-dihydrothieno[2,3-c]pyridin-6-yl]methanone
CID 168933999
[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-7-methyl-4-(1-methylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone
CID 168934002

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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 178047242) is [3-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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(-c4ccc(F)cc4F)no3)C(C)c3ccsc32)cnn1C.
What is the InChIKey of [3-(2,4-difluorophenyl)-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 VGZFKXRLNDYDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2S/c1-12-17(10-26-28(12)3)18-11-29(13(2)15-6-7-32-22(15)18)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]-[7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
[3-(2,4-difluorophenyl)-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 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]-[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 178047242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).