2-[5-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]-3,3-dimethyl-1-pyridin-3-ylbutan-2-ol

C23H26FN3O2 — CID 118447771

IUPAC2-[5-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]-3,3-dimethyl-1-pyridin-3-ylbutan-2-ol
SMILESCC(C)(C)C(O)(Cc1cccnc1)c1ccc(-c2ccc(OCCF)nc2)cn1
InChIInChI=1S/C23H26FN3O2/c1-22(2,3)23(28,13-17-5-4-11-25-14-17)20-8-6-18(15-26-20)19-7-9-21(27-16-19)29-12-10-24/h4-9,11,14-16,28H,10,12-13H2,1-3H3
InChIKeyALTULXALOIIHJU-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.36
Rot. Bonds7

About 2-[5-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]-3,3-dimethyl-1-pyridin-3-ylbutan-2-ol

2-[5-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]-3,3-dimethyl-1-pyridin-3-ylbutan-2-ol (PubChem CID 118447771) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-[5-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]-3,3-dimethyl-1-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name2-[5-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]-3,3-dimethyl-1-pyridin-3-ylbutan-2-ol
PubChem CID118447771
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name2-[5-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]-3,3-dimethyl-1-pyridin-3-ylbutan-2-ol
SMILESCC(C)(C)C(O)(Cc1cccnc1)c1ccc(-c2ccc(OCCF)nc2)cn1
InChIInChI=1S/C23H26FN3O2/c1-22(2,3)23(28,13-17-5-4-11-25-14-17)20-8-6-18(15-26-20)19-7-9-21(27-16-19)29-12-10-24/h4-9,11,14-16,28H,10,12-13H2,1-3H3
InChIKeyALTULXALOIIHJU-UHFFFAOYSA-N
XLogP4.36
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]-3,3-dimethyl-1-pyridin-3-ylbutan-2-ol?
The IUPAC name of 2-[5-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]-3,3-dimethyl-1-pyridin-3-ylbutan-2-ol (CID 118447771) is 2-[5-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]-3,3-dimethyl-1-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 2-[5-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]-3,3-dimethyl-1-pyridin-3-ylbutan-2-ol?
The canonical SMILES for 2-[5-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]-3,3-dimethyl-1-pyridin-3-ylbutan-2-ol is CC(C)(C)C(O)(Cc1cccnc1)c1ccc(-c2ccc(OCCF)nc2)cn1.
What is the InChIKey of 2-[5-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]-3,3-dimethyl-1-pyridin-3-ylbutan-2-ol?
The InChIKey is ALTULXALOIIHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-22(2,3)23(28,13-17-5-4-11-25-14-17)20-8-6-18(15-26-20)19-7-9-21(27-16-19)29-12-10-24/h4-9,11,14-16,28H,10,12-13H2,1-3H3.
What are the key properties of 2-[5-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]-3,3-dimethyl-1-pyridin-3-ylbutan-2-ol?
2-[5-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]-3,3-dimethyl-1-pyridin-3-ylbutan-2-ol has a molecular weight of 395.48 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-(2-fluoroethoxy)-3-pyridinyl]-2-pyridinyl]-3,3-dimethyl-1-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 118447771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).