[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone

C24H20F2N4O2 — CID 166151546

IUPAC[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone
SMILESCn1cc([C@]2(C)CN(C(=O)c3cc(-c4ccc(F)cc4F)on3)Cc3ccccc32)cn1
InChIInChI=1S/C24H20F2N4O2/c1-24(16-11-27-29(2)13-16)14-30(12-15-5-3-4-6-19(15)24)23(31)21-10-22(32-28-21)18-8-7-17(25)9-20(18)26/h3-11,13H,12,14H2,1-2H3/t24-/m0/s1
InChIKeyZUAPUIUYTQIALH-DEOSSOPVSA-N
MW434.45 g/mol
LogP4.32
Rot. Bonds3

About [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone

[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone (PubChem CID 166151546) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone
PubChem CID166151546
Molecular FormulaC24H20F2N4O2
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone
SMILESCn1cc([C@]2(C)CN(C(=O)c3cc(-c4ccc(F)cc4F)on3)Cc3ccccc32)cn1
InChIInChI=1S/C24H20F2N4O2/c1-24(16-11-27-29(2)13-16)14-30(12-15-5-3-4-6-19(15)24)23(31)21-10-22(32-28-21)18-8-7-17(25)9-20(18)26/h3-11,13H,12,14H2,1-2H3/t24-/m0/s1
InChIKeyZUAPUIUYTQIALH-DEOSSOPVSA-N
XLogP4.32
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(2,6-difluoro-3-pyridinyl)-1,2-oxazol-3-yl]-[4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone
CID 171620967
[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
[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)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 168934065
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72841576
2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 27375820
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 121198515
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 171620961
N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 168934091
N-[2-(4-chloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 168934073
5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide
CID 178030702
[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 171620958

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone?
The IUPAC name of [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) is [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone.
What is the SMILES notation for [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone?
The canonical SMILES for [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone is Cn1cc([C@]2(C)CN(C(=O)c3cc(-c4ccc(F)cc4F)on3)Cc3ccccc32)cn1.
What is the InChIKey of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone?
The InChIKey is ZUAPUIUYTQIALH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c1-24(16-11-27-29(2)13-16)14-30(12-15-5-3-4-6-19(15)24)23(31)21-10-22(32-28-21)18-8-7-17(25)9-20(18)26/h3-11,13H,12,14H2,1-2H3/t24-/m0/s1.
What are the key properties of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone?
[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone has a molecular weight of 434.45 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R)-4-methyl-4-(1-methylpyrazol-4-yl)-1,3-dihydroisoquinolin-2-yl]methanone is sourced from PubChem (CID 166151546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).