3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate

C26H28F6N4O5 — CID 158379400

IUPAC3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CC3CC3C2)nc1OC(F)(F)F.COCc1ccc(N2CC3CC3C2)nc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2O3.C13H15F3N2O2/c1-20-12(19)9-2-3-10(17-11(9)21-13(14,15)16)18-5-7-4-8(7)6-18;1-19-7-8-2-3-11(17-12(8)20-13(14,15)16)18-5-9-4-10(9)6-18/h2-3,7-8H,4-6H2,1H3;2-3,9-10H,4-7H2,1H3
InChIKeyGVPGUYWBPYMYPD-UHFFFAOYSA-N
MW590.52 g/mol
LogP4.81
Rot. Bonds7

About 3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate

3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 158379400) has the molecular formula C26H28F6N4O5 and a molecular weight of 590.52 g/mol. Its IUPAC name is 3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Name3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID158379400
Molecular FormulaC26H28F6N4O5
Molecular Weight590.52 g/mol
Exact Mass590.20
IUPAC Name3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CC3CC3C2)nc1OC(F)(F)F.COCc1ccc(N2CC3CC3C2)nc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2O3.C13H15F3N2O2/c1-20-12(19)9-2-3-10(17-11(9)21-13(14,15)16)18-5-7-4-8(7)6-18;1-19-7-8-2-3-11(17-12(8)20-13(14,15)16)18-5-9-4-10(9)6-18/h2-3,7-8H,4-6H2,1H3;2-3,9-10H,4-7H2,1H3
InChIKeyGVPGUYWBPYMYPD-UHFFFAOYSA-N
XLogP4.81
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.52
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate 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

Methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 156826186
Methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate;methyl 6-chloro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 158979183
[6-(3-Azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methanol;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 159296500
methyl 6-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 166716296
Methyl 2-methoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate
CID 121584925
(3S,4S)-1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063729
methyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate
CID 129398765
methyl 2-methoxy-6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate
CID 129398766
Methyl 6-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate
CID 133501490
Methyl 6-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate
CID 133503928
Methyl 2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate
CID 133505213
Methyl 6-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-2-methoxypyridine-3-carboxylate
CID 133527658

Frequently Asked Questions

What is the IUPAC name of 3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of 3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate (CID 158379400) is 3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for 3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for 3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate is COC(=O)c1ccc(N2CC3CC3C2)nc1OC(F)(F)F.COCc1ccc(N2CC3CC3C2)nc1OC(F)(F)F.
What is the InChIKey of 3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is GVPGUYWBPYMYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3.C13H15F3N2O2/c1-20-12(19)9-2-3-10(17-11(9)21-13(14,15)16)18-5-7-4-8(7)6-18;1-19-7-8-2-3-11(17-12(8)20-13(14,15)16)18-5-9-4-10(9)6-18/h2-3,7-8H,4-6H2,1H3;2-3,9-10H,4-7H2,1H3.
What are the key properties of 3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate?
3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate has a molecular weight of 590.52 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 158379400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).