2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine

C21H23F3N4O — CID 123292486

IUPAC2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine
SMILESCOc1c(C2CCN(c3nc4ncccc4n3C)CC2)ccc(C(F)(F)F)c1C
InChIInChI=1S/C21H23F3N4O/c1-13-16(21(22,23)24)7-6-15(18(13)29-3)14-8-11-28(12-9-14)20-26-19-17(27(20)2)5-4-10-25-19/h4-7,10,14H,8-9,11-12H2,1-3H3
InChIKeyFEYLAJGDJWUOPX-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.69
Rot. Bonds3

About 2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine

2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine (PubChem CID 123292486) has the molecular formula C21H23F3N4O and a molecular weight of 404.44 g/mol. Its IUPAC name is 2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine
PubChem CID123292486
Molecular FormulaC21H23F3N4O
Molecular Weight404.44 g/mol
Exact Mass404.18
IUPAC Name2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine
SMILESCOc1c(C2CCN(c3nc4ncccc4n3C)CC2)ccc(C(F)(F)F)c1C
InChIInChI=1S/C21H23F3N4O/c1-13-16(21(22,23)24)7-6-15(18(13)29-3)14-8-11-28(12-9-14)20-26-19-17(27(20)2)5-4-10-25-19/h4-7,10,14H,8-9,11-12H2,1-3H3
InChIKeyFEYLAJGDJWUOPX-UHFFFAOYSA-N
XLogP4.69
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine (CID 123292486) is 2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine is COc1c(C2CCN(c3nc4ncccc4n3C)CC2)ccc(C(F)(F)F)c1C.
What is the InChIKey of 2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine?
The InChIKey is FEYLAJGDJWUOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O/c1-13-16(21(22,23)24)7-6-15(18(13)29-3)14-8-11-28(12-9-14)20-26-19-17(27(20)2)5-4-10-25-19/h4-7,10,14H,8-9,11-12H2,1-3H3.
What are the key properties of 2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine?
2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine has a molecular weight of 404.44 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 123292486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).