[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone

C26H24F2N4O2 — CID 166151606

IUPAC[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone
SMILESCc1c(C2(C)CN(C(=O)c3cc(-c4ccc(F)cc4F)no3)C(C)c3ccccc32)cnn1C
InChIInChI=1S/C26H24F2N4O2/c1-15-18-7-5-6-8-20(18)26(3,21-13-29-31(4)16(21)2)14-32(15)25(33)24-12-23(30-34-24)19-10-9-17(27)11-22(19)28/h5-13,15H,14H2,1-4H3
InChIKeyFRTJEWPQLHTKER-UHFFFAOYSA-N
MW462.50 g/mol
LogP5.18
Rot. Bonds3

About [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone

[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone (PubChem CID 166151606) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone.

Molecular Properties

Compound Name[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone
PubChem CID166151606
Molecular FormulaC26H24F2N4O2
Molecular Weight462.50 g/mol
Exact Mass462.19
IUPAC Name[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone
SMILESCc1c(C2(C)CN(C(=O)c3cc(-c4ccc(F)cc4F)no3)C(C)c3ccccc32)cnn1C
InChIInChI=1S/C26H24F2N4O2/c1-15-18-7-5-6-8-20(18)26(3,21-13-29-31(4)16(21)2)14-32(15)25(33)24-12-23(30-34-24)19-10-9-17(27)11-22(19)28/h5-13,15H,14H2,1-4H3
InChIKeyFRTJEWPQLHTKER-UHFFFAOYSA-N
XLogP5.18
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.50
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone?
The IUPAC name of [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) is [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone.
What is the SMILES notation for [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone?
The canonical SMILES for [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone is Cc1c(C2(C)CN(C(=O)c3cc(-c4ccc(F)cc4F)no3)C(C)c3ccccc32)cnn1C.
What is the InChIKey of [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone?
The InChIKey is FRTJEWPQLHTKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c1-15-18-7-5-6-8-20(18)26(3,21-13-29-31(4)16(21)2)14-32(15)25(33)24-12-23(30-34-24)19-10-9-17(27)11-22(19)28/h5-13,15H,14H2,1-4H3.
What are the key properties of [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone?
[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone has a molecular weight of 462.50 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]-[4-(1,5-dimethylpyrazol-4-yl)-1,4-dimethyl-1,3-dihydroisoquinolin-2-yl]methanone is sourced from PubChem (CID 166151606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).