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

C23H23F3N3O3- — CID 156815585

IUPAC[6-(2-methoxyphenyl)-3-[(3S)-3-[[5-(trifluoromethyl)-2H-pyridin-1-id-2-yl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
SMILESCOc1ccccc1-c1ccc(N2CC[C@H](OC3C=CC(C(F)(F)F)=C[N-]3)C2)c(CO)n1
InChIInChI=1S/C23H23F3N3O3/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/h2-9,12,16,22,30H,10-11,13-14H2,1H3/q-1/t16-,22?/m0/s1
InChIKeyWAMGDPMTLXUIQF-CISYCMJJSA-N
MW446.45 g/mol
LogP4.56
Rot. Bonds6

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

[6-(2-methoxyphenyl)-3-[(3S)-3-[[5-(trifluoromethyl)-2H-pyridin-1-id-2-yl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol (PubChem CID 156815585) has the molecular formula C23H23F3N3O3- and a molecular weight of 446.45 g/mol. Its IUPAC name is [6-(2-methoxyphenyl)-3-[(3S)-3-[[5-(trifluoromethyl)-2H-pyridin-1-id-2-yl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2-methoxyphenyl)-3-[(3S)-3-[[5-(trifluoromethyl)-2H-pyridin-1-id-2-yl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
PubChem CID156815585
Molecular FormulaC23H23F3N3O3-
Molecular Weight446.45 g/mol
Exact Mass446.17
IUPAC Name[6-(2-methoxyphenyl)-3-[(3S)-3-[[5-(trifluoromethyl)-2H-pyridin-1-id-2-yl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
SMILESCOc1ccccc1-c1ccc(N2CC[C@H](OC3C=CC(C(F)(F)F)=C[N-]3)C2)c(CO)n1
InChIInChI=1S/C23H23F3N3O3/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/h2-9,12,16,22,30H,10-11,13-14H2,1H3/q-1/t16-,22?/m0/s1
InChIKeyWAMGDPMTLXUIQF-CISYCMJJSA-N
XLogP4.56
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(2-methoxyphenyl)-3-[(3S)-3-[[5-(trifluoromethyl)-2H-pyridin-1-id-2-yl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-(2-methoxyphenyl)-3-[(3S)-3-[[5-(trifluoromethyl)-2H-pyridin-1-id-2-yl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol (CID 156815585) is [6-(2-methoxyphenyl)-3-[(3S)-3-[[5-(trifluoromethyl)-2H-pyridin-1-id-2-yl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-(2-methoxyphenyl)-3-[(3S)-3-[[5-(trifluoromethyl)-2H-pyridin-1-id-2-yl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-(2-methoxyphenyl)-3-[(3S)-3-[[5-(trifluoromethyl)-2H-pyridin-1-id-2-yl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol is COc1ccccc1-c1ccc(N2CC[C@H](OC3C=CC(C(F)(F)F)=C[N-]3)C2)c(CO)n1.
What is the InChIKey of [6-(2-methoxyphenyl)-3-[(3S)-3-[[5-(trifluoromethyl)-2H-pyridin-1-id-2-yl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol?
The InChIKey is WAMGDPMTLXUIQF-CISYCMJJSA-N. The full InChI is InChI=1S/C23H23F3N3O3/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/h2-9,12,16,22,30H,10-11,13-14H2,1H3/q-1/t16-,22?/m0/s1.
What are the key properties of [6-(2-methoxyphenyl)-3-[(3S)-3-[[5-(trifluoromethyl)-2H-pyridin-1-id-2-yl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol?
[6-(2-methoxyphenyl)-3-[(3S)-3-[[5-(trifluoromethyl)-2H-pyridin-1-id-2-yl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol has a molecular weight of 446.45 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methoxyphenyl)-3-[(3S)-3-[[5-(trifluoromethyl)-2H-pyridin-1-id-2-yl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 156815585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).