[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol

C23H18ClF3N2O3 — CID 118967091

IUPAC[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3ccc(OC(F)(F)F)cc23)cn1
InChIInChI=1S/C23H18ClF3N2O3/c1-31-21-9-6-14(11-28-21)22-17-10-16(32-23(25,26)27)7-8-19(17)29(20(22)13-30)12-15-4-2-3-5-18(15)24/h2-11,30H,12-13H2,1H3
InChIKeyYYPCMHMJIQOTMJ-UHFFFAOYSA-N
MW462.86 g/mol
LogP5.80
Rot. Bonds6

About [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol

[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol (PubChem CID 118967091) has the molecular formula C23H18ClF3N2O3 and a molecular weight of 462.86 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
PubChem CID118967091
Molecular FormulaC23H18ClF3N2O3
Molecular Weight462.86 g/mol
Exact Mass462.10
IUPAC Name[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3ccc(OC(F)(F)F)cc23)cn1
InChIInChI=1S/C23H18ClF3N2O3/c1-31-21-9-6-14(11-28-21)22-17-10-16(32-23(25,26)27)7-8-19(17)29(20(22)13-30)12-15-4-2-3-5-18(15)24/h2-11,30H,12-13H2,1H3
InChIKeyYYPCMHMJIQOTMJ-UHFFFAOYSA-N
XLogP5.80
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.86
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol
CID 118967097
[1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 159542441
[1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol
CID 140928472
[1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol
CID 161335033
1-[(4-cyano-2-fluorophenyl)methyl]-2-(hydroxymethyl)-3-(6-methoxy-3-pyridinyl)indole-5-carbonitrile
CID 118967146
[1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol
CID 118967156
[1-[(2-chlorophenyl)methyl]-3-(2-methylsulfanylpyrimidin-5-yl)-6-propan-2-yloxyindol-2-yl]methanol
CID 118967144
[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol
CID 118967126
[1-[(2-chlorophenyl)methyl]-3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5-(trifluoromethyl)indol-2-yl]methanol
CID 118971362
bis(1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole);2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methyl-1H-indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 159853250
2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
CID 10832199
3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 71461082

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol (CID 118967091) is [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol is COc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3ccc(OC(F)(F)F)cc23)cn1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
The InChIKey is YYPCMHMJIQOTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N2O3/c1-31-21-9-6-14(11-28-21)22-17-10-16(32-23(25,26)27)7-8-19(17)29(20(22)13-30)12-15-4-2-3-5-18(15)24/h2-11,30H,12-13H2,1H3.
What are the key properties of [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol has a molecular weight of 462.86 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol is sourced from PubChem (CID 118967091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).