7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

C24H22F3N3O2 — CID 90926941

IUPAC7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCc1cc(N(C)Cc2cccnc2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C24H22F3N3O2/c1-16-10-20(29(2)13-18-4-3-9-28-12-18)11-19-15-30(23(31)22(16)19)14-17-5-7-21(8-6-17)32-24(25,26)27/h3-12,15,31H,13-14H2,1-2H3
InChIKeyWAVTYZYXPIOCJV-UHFFFAOYSA-N
MW441.45 g/mol
LogP5.63
Rot. Bonds6

About 7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 90926941) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
PubChem CID90926941
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCc1cc(N(C)Cc2cccnc2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C24H22F3N3O2/c1-16-10-20(29(2)13-18-4-3-9-28-12-18)11-19-15-30(23(31)22(16)19)14-17-5-7-21(8-6-17)32-24(25,26)27/h3-12,15,31H,13-14H2,1-2H3
InChIKeyWAVTYZYXPIOCJV-UHFFFAOYSA-N
XLogP5.63
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol with MolForge

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Related Compounds

[3-(6-Methoxypyridin-3-yl)-5-(trifluoromethoxy)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol
CID 118967132
2-(4-Methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole
CID 25058205
2-(Hydroxymethyl)-3-(6-methoxypyridin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carbonitrile
CID 118714117
2-(Hydroxymethyl)-3-(6-methoxypyridin-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carbonitrile
CID 118714118
(1-(3-methoxybenzyl)-3-(6-methoxypyridin-3-yl)-5-(trifluoromethyl)-1H-indol-2-yl)methanol
CID 118953471
[1-Benzyl-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967102
[3-(6-Methoxypyridin-3-yl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol
CID 140928469
7H-Pyrido(3,4-c)carbazole, 10-methoxy-7-methyl-
CID 151709
7H-Pyrido(4,3-c)carbazole, 10-methoxy-7-methyl-
CID 151710
10-Methoxy-2,7-dimethylpyrido[4,3-c]carbazol-2-ium iodide
CID 15921290
10-Methoxy-3,7-dimethylpyrido[3,4-c]carbazol-3-ium iodide
CID 15921294
[3-(6-Methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol
CID 118714103

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 90926941) is 7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is Cc1cc(N(C)Cc2cccnc2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12.
What is the InChIKey of 7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is WAVTYZYXPIOCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-16-10-20(29(2)13-18-4-3-9-28-12-18)11-19-15-30(23(31)22(16)19)14-17-5-7-21(8-6-17)32-24(25,26)27/h3-12,15,31H,13-14H2,1-2H3.
What are the key properties of 7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 441.45 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90926941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).