[6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol

C23H22F3N3O3 — CID 166683249

IUPAC[6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
SMILESCOc1ccccc1-c1ccc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)c(CO)n1
InChIInChI=1S/C23H22F3N3O3/c1-31-21-5-3-2-4-17(21)18-7-8-20(19(14-30)28-18)29-11-10-16(13-29)32-22-9-6-15(12-27-22)23(24,25)26/h2-9,12,16,30H,10-11,13-14H2,1H3
InChIKeyKRLUAILXYQRWBL-UHFFFAOYSA-N
MW445.44 g/mol
LogP4.32
Rot. Bonds6

About [6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol

[6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol (PubChem CID 166683249) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is [6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
PubChem CID166683249
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name[6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
SMILESCOc1ccccc1-c1ccc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)c(CO)n1
InChIInChI=1S/C23H22F3N3O3/c1-31-21-5-3-2-4-17(21)18-7-8-20(19(14-30)28-18)29-11-10-16(13-29)32-22-9-6-15(12-27-22)23(24,25)26/h2-9,12,16,30H,10-11,13-14H2,1H3
InChIKeyKRLUAILXYQRWBL-UHFFFAOYSA-N
XLogP4.32
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2-Fluoroethoxy)phenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide
CID 58029262
3-[4-[[1-(6-Ethylpyridin-3-yl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propanoic acid
CID 90406893
3-[3,5-Difluoro-4-[[1-(6-methylpyridin-3-yl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]phenyl]propanoic acid
CID 90407659
3-[3,5-Difluoro-4-[[1-(6-methoxypyridin-3-yl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]phenyl]propanoic acid
CID 90442468
(NE)-N-(2-pyrrolo[1,2-a]pyrazin-3-ylchromen-4-ylidene)hydroxylamine
CID 137642559
US11149031, Example 252
CID 134520906
(1)Benzoxepino(3,4-b)pyridine, 5,11-dihydro-5-(4-methyl-1-piperazinyl)-
CID 13469338
2-(1-(3-methoxybenzyl)-4-{[1-(3-pyridinyl)-1H-pyrrol-2-yl]methyl}-2-piperazinyl)ethanol
CID 16191896
2-fluoro-N-[(2-methoxyphenyl)methyl]-N-(2-phenoxy-3-pyridinyl)acetamide
CID 70695164
(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 110145959
1,1,1-Trifluoro-3-[(3-phenoxyphenyl)[3-(1-methyl-2-pyrrolyl)benzyl]amino]-2-propanol
CID 23506031
(S)-1-(6-(4-(2-(((S)-3-hydroxypyrrolidin-1-yl)methyl)-4-(trifluoromethyl)phenoxy)-phenyl)pyridin-2-yl)ethane-1,2-diol
CID 86272843

Frequently Asked Questions

What is the IUPAC name of [6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol (CID 166683249) is [6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol is COc1ccccc1-c1ccc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)c(CO)n1.
What is the InChIKey of [6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol?
The InChIKey is KRLUAILXYQRWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-31-21-5-3-2-4-17(21)18-7-8-20(19(14-30)28-18)29-11-10-16(13-29)32-22-9-6-15(12-27-22)23(24,25)26/h2-9,12,16,30H,10-11,13-14H2,1H3.
What are the key properties of [6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol?
[6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol has a molecular weight of 445.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 166683249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).