N-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide

C28H29F2N3O3 — CID 59339762

IUPACN-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide
SMILESCc1cc(F)ccc1[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)[C@H](C)NC(=O)C(C)(C)CO
InChIInChI=1S/C28H29F2N3O3/c1-17-13-21(30)7-11-24(17)26(18(2)32-27(35)28(3,4)16-34)36-23-10-12-25-19(14-23)15-31-33(25)22-8-5-20(29)6-9-22/h5-15,18,26,34H,16H2,1-4H3,(H,32,35)/t18-,26-/m0/s1
InChIKeyINHHYSNWXVQTDE-QYBDOPJKSA-N
MW493.55 g/mol
LogP5.26
Rot. Bonds8

About N-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide

N-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide (PubChem CID 59339762) has the molecular formula C28H29F2N3O3 and a molecular weight of 493.55 g/mol. Its IUPAC name is N-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide
PubChem CID59339762
Molecular FormulaC28H29F2N3O3
Molecular Weight493.55 g/mol
Exact Mass493.22
IUPAC NameN-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide
SMILESCc1cc(F)ccc1[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)[C@H](C)NC(=O)C(C)(C)CO
InChIInChI=1S/C28H29F2N3O3/c1-17-13-21(30)7-11-24(17)26(18(2)32-27(35)28(3,4)16-34)36-23-10-12-25-19(14-23)15-31-33(25)22-8-5-20(29)6-9-22/h5-15,18,26,34H,16H2,1-4H3,(H,32,35)/t18-,26-/m0/s1
InChIKeyINHHYSNWXVQTDE-QYBDOPJKSA-N
XLogP5.26
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.55
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide 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

N-[(1R,2S)-1-(2,4-dimethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2-dimethylpropanamide
CID 58201624
2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane
CID 159493329
N-[(1S,2S)-1-(5-fluoro-2-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2-dimethylpropanamide
CID 66812044
2,2,2-trifluoro-N-[(1R,2S)-1-(5-fluoro-2-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]acetamide
CID 58201648
N-[(2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2-dimethylpropanamide
CID 69004993
N-[(1R,2S)-1-(3-chloro-5-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2-dimethylpropanamide;methane
CID 157112280
N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide
CID 74388636
N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane
CID 159332447
2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 91274945
N-[(1R,2S)-1-(2,5-dimethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-methylprop-2-enamide
CID 88990844
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-hydroxyphenyl)propan-2-yl]acetamide
CID 25012028
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-2-hydroxyacetamide
CID 91418913

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide?
The IUPAC name of N-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide (CID 59339762) is N-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide is Cc1cc(F)ccc1[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)[C@H](C)NC(=O)C(C)(C)CO.
What is the InChIKey of N-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide?
The InChIKey is INHHYSNWXVQTDE-QYBDOPJKSA-N. The full InChI is InChI=1S/C28H29F2N3O3/c1-17-13-21(30)7-11-24(17)26(18(2)32-27(35)28(3,4)16-34)36-23-10-12-25-19(14-23)15-31-33(25)22-8-5-20(29)6-9-22/h5-15,18,26,34H,16H2,1-4H3,(H,32,35)/t18-,26-/m0/s1.
What are the key properties of N-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide?
N-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide has a molecular weight of 493.55 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(4-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3-hydroxy-2,2-dimethylpropanamide is sourced from PubChem (CID 59339762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).