1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol

C23H22F3N3O2 — CID 66962964

IUPAC1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol
SMILESOC(c1cccnc1)(c1cccnc1)C(c1ccccc1OC(F)(F)F)N1CCCC1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)31-20-10-2-1-9-19(20)21(29-13-3-4-14-29)22(30,17-7-5-11-27-15-17)18-8-6-12-28-16-18/h1-2,5-12,15-16,21,30H,3-4,13-14H2
InChIKeyYUMWXLODZVEWFK-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.45
Rot. Bonds6

About 1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol

1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol (PubChem CID 66962964) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol
PubChem CID66962964
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol
SMILESOC(c1cccnc1)(c1cccnc1)C(c1ccccc1OC(F)(F)F)N1CCCC1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)31-20-10-2-1-9-19(20)21(29-13-3-4-14-29)22(30,17-7-5-11-27-15-17)18-8-6-12-28-16-18/h1-2,5-12,15-16,21,30H,3-4,13-14H2
InChIKeyYUMWXLODZVEWFK-UHFFFAOYSA-N
XLogP4.45
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol (CID 66962964) is 1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol is OC(c1cccnc1)(c1cccnc1)C(c1ccccc1OC(F)(F)F)N1CCCC1.
What is the InChIKey of 1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is YUMWXLODZVEWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c24-23(25,26)31-20-10-2-1-9-19(20)21(29-13-3-4-14-29)22(30,17-7-5-11-27-15-17)18-8-6-12-28-16-18/h1-2,5-12,15-16,21,30H,3-4,13-14H2.
What are the key properties of 1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol?
1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 429.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 66962964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).