1-(1-ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide

C30H30F3N5O3 — CID 143372125

IUPAC1-(1-ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide
SMILESCCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(C)cc3)c2)C(F)(F)F)c2ccccc21.CN(C=O)CC(N)=O
InChIInChI=1S/C26H22F3N3O.C4H8N2O2/c1-3-31-16-22(21-6-4-5-7-24(21)31)25(33,26(27,28)29)19-10-13-23-18(14-19)15-30-32(23)20-11-8-17(2)9-12-20;1-6(3-7)2-4(5)8/h4-16,33H,3H2,1-2H3;3H,2H2,1H3,(H2,5,8)
InChIKeyXBUFHXDYTBZOLP-UHFFFAOYSA-N
MW565.60 g/mol
LogP4.67
Rot. Bonds7

About 1-(1-ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide

1-(1-ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide (PubChem CID 143372125) has the molecular formula C30H30F3N5O3 and a molecular weight of 565.60 g/mol. Its IUPAC name is 1-(1-ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide.

Molecular Properties

Compound Name1-(1-ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide
PubChem CID143372125
Molecular FormulaC30H30F3N5O3
Molecular Weight565.60 g/mol
Exact Mass565.23
IUPAC Name1-(1-ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide
SMILESCCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(C)cc3)c2)C(F)(F)F)c2ccccc21.CN(C=O)CC(N)=O
InChIInChI=1S/C26H22F3N3O.C4H8N2O2/c1-3-31-16-22(21-6-4-5-7-24(21)31)25(33,26(27,28)29)19-10-13-23-18(14-19)15-30-32(23)20-11-8-17(2)9-12-20;1-6(3-7)2-4(5)8/h4-16,33H,3H2,1-2H3;3H,2H2,1H3,(H2,5,8)
InChIKeyXBUFHXDYTBZOLP-UHFFFAOYSA-N
XLogP4.67
TPSA106.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.60
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,2,2-Trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol
CID 15980813
2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol
CID 15980900
2,2,2-trifluoro-1-(1H-indol-4-yl)-1-(1-phenylindazol-5-yl)ethanol
CID 15980901
1,1,1-trifluoro-3-(1H-indol-2-yl)-2-(1-phenylindazol-5-yl)propan-2-ol
CID 15980902
1,1,1-Trifluoro-3-indol-1-yl-2-(1-phenylindazol-5-yl)propan-2-ol
CID 15980903
1-[3,3,3-Trifluoro-2-hydroxy-2-(1-phenylindazol-5-yl)propyl]indole-3-carbonitrile
CID 15980904
1,1,1,3,3,3-Hexafluoro-2-[2-methyl-1-[[2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]indol-5-yl]propan-2-ol
CID 21082160
2-[1-[[2-Ethyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21082175
3-[3-[2,2,2-Trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide
CID 24957238
N-methyl-3-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propanamide
CID 24957239
3-[6-Pyrrolidin-1-yl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol
CID 24957240
2-(6-Bromo-3-{2,2,2-trifluoro-1-[1-(4-fluorophenyl)-1H-indazol-5-yl]-1-hydroxyethyl}indol-1-yl)-N-methylacetamide
CID 24957241

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide?
The IUPAC name of 1-(1-ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide (CID 143372125) is 1-(1-ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide.
What is the SMILES notation for 1-(1-ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide?
The canonical SMILES for 1-(1-ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide is CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(C)cc3)c2)C(F)(F)F)c2ccccc21.CN(C=O)CC(N)=O.
What is the InChIKey of 1-(1-ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide?
The InChIKey is XBUFHXDYTBZOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O.C4H8N2O2/c1-3-31-16-22(21-6-4-5-7-24(21)31)25(33,26(27,28)29)19-10-13-23-18(14-19)15-30-32(23)20-11-8-17(2)9-12-20;1-6(3-7)2-4(5)8/h4-16,33H,3H2,1-2H3;3H,2H2,1H3,(H2,5,8).
What are the key properties of 1-(1-ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide?
1-(1-ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide has a molecular weight of 565.60 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide is sourced from PubChem (CID 143372125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).