5-hydroxy-7-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide

C24H21F3N2O2 — CID 22739662

IUPAC5-hydroxy-7-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESCC(C)c1cc(O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C24H21F3N2O2/c1-13(2)15-10-19-22(20(30)11-15)21-16(23(28)31)7-5-9-18(21)29(19)12-14-6-3-4-8-17(14)24(25,26)27/h3-11,13,30H,12H2,1-2H3,(H2,28,31)
InChIKeyLIPLNRGDWNFOIL-UHFFFAOYSA-N
MW426.44 g/mol
LogP5.79
Rot. Bonds4

About 5-hydroxy-7-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide

5-hydroxy-7-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (PubChem CID 22739662) has the molecular formula C24H21F3N2O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is 5-hydroxy-7-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-7-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
PubChem CID22739662
Molecular FormulaC24H21F3N2O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC Name5-hydroxy-7-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
SMILESCC(C)c1cc(O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C24H21F3N2O2/c1-13(2)15-10-19-22(20(30)11-15)21-16(23(28)31)7-5-9-18(21)29(19)12-14-6-3-4-8-17(14)24(25,26)27/h3-11,13,30H,12H2,1-2H3,(H2,28,31)
InChIKeyLIPLNRGDWNFOIL-UHFFFAOYSA-N
XLogP5.79
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1H)-yl)propanoic acid
CID 9978312
9-Hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo(3,4-C)carbazole-1,3(2H,6H)-dione
CID 10364585
9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide
CID 77461280
1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-{[3-methyl-5-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide
CID 10896126
1-[(3-carbamimidoylphenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-hydroxy-1H-indole-2-carboxamide
CID 10927859
1-[(3-carbamimidoylphenyl)methyl]-N-{[3-fluoro-5-(trifluoromethyl)phenyl]methyl}-4-hydroxy-1H-indole-2-carboxamide
CID 10972928
1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide
CID 11102680
N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-1H-indole-2-carboxamide
CID 11731179
1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-difluorophenyl)methyl]-4-hydroxy-1H-indole-2-carboxamide
CID 11732813
2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol
CID 44195154
3-(9-Hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1H)-yl)propanamide
CID 10046459
2-ethyl-5-hydroxy-1-(phenylmethyl)-1H-indole-3-acetamide
CID 10542836

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The IUPAC name of 5-hydroxy-7-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide (CID 22739662) is 5-hydroxy-7-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide.
What is the SMILES notation for 5-hydroxy-7-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The canonical SMILES for 5-hydroxy-7-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is CC(C)c1cc(O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3C(F)(F)F)c2c1.
What is the InChIKey of 5-hydroxy-7-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
The InChIKey is LIPLNRGDWNFOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O2/c1-13(2)15-10-19-22(20(30)11-15)21-16(23(28)31)7-5-9-18(21)29(19)12-14-6-3-4-8-17(14)24(25,26)27/h3-11,13,30H,12H2,1-2H3,(H2,28,31).
What are the key properties of 5-hydroxy-7-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide?
5-hydroxy-7-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 5.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide is sourced from PubChem (CID 22739662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).