2-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine

C20H20F4N4O — CID 51357400

IUPAC2-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
SMILESCn1c(CN2CCC(c3ccc(OC(F)(F)F)cc3F)CC2)nc2ncccc21
InChIInChI=1S/C20H20F4N4O/c1-27-17-3-2-8-25-19(17)26-18(27)12-28-9-6-13(7-10-28)15-5-4-14(11-16(15)21)29-20(22,23)24/h2-5,8,11,13H,6-7,9-10,12H2,1H3
InChIKeyWVBOYSGJAJVORN-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.39
Rot. Bonds4

About 2-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine

2-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine (PubChem CID 51357400) has the molecular formula C20H20F4N4O and a molecular weight of 408.40 g/mol. Its IUPAC name is 2-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
PubChem CID51357400
Molecular FormulaC20H20F4N4O
Molecular Weight408.40 g/mol
Exact Mass408.16
IUPAC Name2-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
SMILESCn1c(CN2CCC(c3ccc(OC(F)(F)F)cc3F)CC2)nc2ncccc21
InChIInChI=1S/C20H20F4N4O/c1-27-17-3-2-8-25-19(17)26-18(27)12-28-9-6-13(7-10-28)15-5-4-14(11-16(15)21)29-20(22,23)24/h2-5,8,11,13H,6-7,9-10,12H2,1H3
InChIKeyWVBOYSGJAJVORN-UHFFFAOYSA-N
XLogP4.39
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine (CID 51357400) is 2-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine is Cn1c(CN2CCC(c3ccc(OC(F)(F)F)cc3F)CC2)nc2ncccc21.
What is the InChIKey of 2-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
The InChIKey is WVBOYSGJAJVORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N4O/c1-27-17-3-2-8-25-19(17)26-18(27)12-28-9-6-13(7-10-28)15-5-4-14(11-16(15)21)29-20(22,23)24/h2-5,8,11,13H,6-7,9-10,12H2,1H3.
What are the key properties of 2-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
2-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine has a molecular weight of 408.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 51357400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).