N-[(1R,2S)-1-(4-ethylphenyl)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-2,2,2-trifluoroacetamide

C26H23F4N3O2 — CID 150141767

IUPACN-[(1R,2S)-1-(4-ethylphenyl)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-2,2,2-trifluoroacetamide
SMILESCCc1ccc([C@@H](Oc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)[C@H](C)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C26H23F4N3O2/c1-3-16-4-6-18(7-5-16)24(15(2)31-25(34)26(28,29)30)35-20-12-13-22-21(14-20)23(33-32-22)17-8-10-19(27)11-9-17/h4-15,24H,3H2,1-2H3,(H,31,34)(H,32,33)/t15-,24-/m0/s1
InChIKeyFDKVDKMDLYXQIP-OWJWWREXSA-N
MW485.48 g/mol
LogP6.12
Rot. Bonds7

About N-[(1R,2S)-1-(4-ethylphenyl)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-2,2,2-trifluoroacetamide

N-[(1R,2S)-1-(4-ethylphenyl)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 150141767) has the molecular formula C26H23F4N3O2 and a molecular weight of 485.48 g/mol. Its IUPAC name is N-[(1R,2S)-1-(4-ethylphenyl)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(4-ethylphenyl)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID150141767
Molecular FormulaC26H23F4N3O2
Molecular Weight485.48 g/mol
Exact Mass485.17
IUPAC NameN-[(1R,2S)-1-(4-ethylphenyl)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-2,2,2-trifluoroacetamide
SMILESCCc1ccc([C@@H](Oc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)[C@H](C)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C26H23F4N3O2/c1-3-16-4-6-18(7-5-16)24(15(2)31-25(34)26(28,29)30)35-20-12-13-22-21(14-20)23(33-32-22)17-8-10-19(27)11-9-17/h4-15,24H,3H2,1-2H3,(H,31,34)(H,32,33)/t15-,24-/m0/s1
InChIKeyFDKVDKMDLYXQIP-OWJWWREXSA-N
XLogP6.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.48
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-1-(4-methoxy-3,5-dimethylphenyl)propan-2-yl]-1-methylcyclopropane-1-carboxamide
CID 91468221
3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-hydroxypropanamide
CID 69422016
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
N-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide
CID 69022016
methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate
CID 22479901
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-[(1S,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide
CID 87165298
[4-[(1R,2S)-1-(3,4-difluorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]-2-methanimidoylphenyl]-(4-fluorophenyl)azanium
CID 143701105
tert-butyl 3-[[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]amino]propanoate
CID 22480139
3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 20789046

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(4-ethylphenyl)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1R,2S)-1-(4-ethylphenyl)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-2,2,2-trifluoroacetamide (CID 150141767) is N-[(1R,2S)-1-(4-ethylphenyl)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1R,2S)-1-(4-ethylphenyl)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1R,2S)-1-(4-ethylphenyl)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-2,2,2-trifluoroacetamide is CCc1ccc([C@@H](Oc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)[C@H](C)NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[(1R,2S)-1-(4-ethylphenyl)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is FDKVDKMDLYXQIP-OWJWWREXSA-N. The full InChI is InChI=1S/C26H23F4N3O2/c1-3-16-4-6-18(7-5-16)24(15(2)31-25(34)26(28,29)30)35-20-12-13-22-21(14-20)23(33-32-22)17-8-10-19(27)11-9-17/h4-15,24H,3H2,1-2H3,(H,31,34)(H,32,33)/t15-,24-/m0/s1.
What are the key properties of N-[(1R,2S)-1-(4-ethylphenyl)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-2,2,2-trifluoroacetamide?
N-[(1R,2S)-1-(4-ethylphenyl)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 485.48 g/mol, XLogP of 6.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(4-ethylphenyl)-1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 150141767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).