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

C20H21F3N4 — CID 25010196

IUPAC3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine
SMILESCn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2cccnc21
InChIInChI=1S/C20H21F3N4/c1-26-18(25-17-3-2-10-24-19(17)26)13-27-11-8-15(9-12-27)14-4-6-16(7-5-14)20(21,22)23/h2-7,10,15H,8-9,11-13H2,1H3
InChIKeyRDQYWMWFIIIGHP-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.37
Rot. Bonds3

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

3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 25010196) has the molecular formula C20H21F3N4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID25010196
Molecular FormulaC20H21F3N4
Molecular Weight374.41 g/mol
Exact Mass374.17
IUPAC Name3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine
SMILESCn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2cccnc21
InChIInChI=1S/C20H21F3N4/c1-26-18(25-17-3-2-10-24-19(17)26)13-27-11-8-15(9-12-27)14-4-6-16(7-5-14)20(21,22)23/h2-7,10,15H,8-9,11-13H2,1H3
InChIKeyRDQYWMWFIIIGHP-UHFFFAOYSA-N
XLogP4.37
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine (CID 25010196) is 3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine is Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2cccnc21.
What is the InChIKey of 3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is RDQYWMWFIIIGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4/c1-26-18(25-17-3-2-10-24-19(17)26)13-27-11-8-15(9-12-27)14-4-6-16(7-5-14)20(21,22)23/h2-7,10,15H,8-9,11-13H2,1H3.
What are the key properties of 3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine?
3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 374.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 25010196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).