(R)-(2-pyridin-2-yl-3-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanol

C24H23F3N4O2 — CID 146513771

IUPAC(R)-(2-pyridin-2-yl-3-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanol
SMILESO[C@H](c1cccnc1-c1ccccn1)N1CC2CCC1C(Oc1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C24H23F3N4O2/c25-24(26,27)16-7-9-21(30-13-16)33-20-12-15-6-8-19(20)31(14-15)23(32)17-4-3-11-29-22(17)18-5-1-2-10-28-18/h1-5,7,9-11,13,15,19-20,23,32H,6,8,12,14H2/t15?,19?,20?,23-/m1/s1
InChIKeyLVOTYASQMWKESY-BJPVNYJMSA-N
MW456.47 g/mol
LogP4.48
Rot. Bonds5

About (R)-(2-pyridin-2-yl-3-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanol

(R)-(2-pyridin-2-yl-3-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanol (PubChem CID 146513771) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is (R)-(2-pyridin-2-yl-3-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanol.

Molecular Properties

Compound Name(R)-(2-pyridin-2-yl-3-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanol
PubChem CID146513771
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name(R)-(2-pyridin-2-yl-3-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanol
SMILESO[C@H](c1cccnc1-c1ccccn1)N1CC2CCC1C(Oc1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C24H23F3N4O2/c25-24(26,27)16-7-9-21(30-13-16)33-20-12-15-6-8-19(20)31(14-15)23(32)17-4-3-11-29-22(17)18-5-1-2-10-28-18/h1-5,7,9-11,13,15,19-20,23,32H,6,8,12,14H2/t15?,19?,20?,23-/m1/s1
InChIKeyLVOTYASQMWKESY-BJPVNYJMSA-N
XLogP4.48
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (R)-(2-pyridin-2-yl-3-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanol?
The IUPAC name of (R)-(2-pyridin-2-yl-3-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanol (CID 146513771) is (R)-(2-pyridin-2-yl-3-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanol.
What is the SMILES notation for (R)-(2-pyridin-2-yl-3-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanol?
The canonical SMILES for (R)-(2-pyridin-2-yl-3-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanol is O[C@H](c1cccnc1-c1ccccn1)N1CC2CCC1C(Oc1ccc(C(F)(F)F)cn1)C2.
What is the InChIKey of (R)-(2-pyridin-2-yl-3-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanol?
The InChIKey is LVOTYASQMWKESY-BJPVNYJMSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c25-24(26,27)16-7-9-21(30-13-16)33-20-12-15-6-8-19(20)31(14-15)23(32)17-4-3-11-29-22(17)18-5-1-2-10-28-18/h1-5,7,9-11,13,15,19-20,23,32H,6,8,12,14H2/t15?,19?,20?,23-/m1/s1.
What are the key properties of (R)-(2-pyridin-2-yl-3-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanol?
(R)-(2-pyridin-2-yl-3-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanol has a molecular weight of 456.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-pyridin-2-yl-3-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanol is sourced from PubChem (CID 146513771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).