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

C21H23F3N4O — CID 53191354

IUPAC3-(2-methoxyethyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCOCCn1c(C2CCN(Cc3cccc(C(F)(F)F)c3)C2)nc2cccnc21
InChIInChI=1S/C21H23F3N4O/c1-29-11-10-28-19(26-18-6-3-8-25-20(18)28)16-7-9-27(14-16)13-15-4-2-5-17(12-15)21(22,23)24/h2-6,8,12,16H,7,9-11,13-14H2,1H3
InChIKeyIULISINVXLJUSK-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.09
Rot. Bonds6

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

3-(2-methoxyethyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine (PubChem CID 53191354) has the molecular formula C21H23F3N4O and a molecular weight of 404.44 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
PubChem CID53191354
Molecular FormulaC21H23F3N4O
Molecular Weight404.44 g/mol
Exact Mass404.18
IUPAC Name3-(2-methoxyethyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCOCCn1c(C2CCN(Cc3cccc(C(F)(F)F)c3)C2)nc2cccnc21
InChIInChI=1S/C21H23F3N4O/c1-29-11-10-28-19(26-18-6-3-8-25-20(18)28)16-7-9-27(14-16)13-15-4-2-5-17(12-15)21(22,23)24/h2-6,8,12,16H,7,9-11,13-14H2,1H3
InChIKeyIULISINVXLJUSK-UHFFFAOYSA-N
XLogP4.09
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-methoxyethyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine (CID 53191354) is 3-(2-methoxyethyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-methoxyethyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine is COCCn1c(C2CCN(Cc3cccc(C(F)(F)F)c3)C2)nc2cccnc21.
What is the InChIKey of 3-(2-methoxyethyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The InChIKey is IULISINVXLJUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O/c1-29-11-10-28-19(26-18-6-3-8-25-20(18)28)16-7-9-27(14-16)13-15-4-2-5-17(12-15)21(22,23)24/h2-6,8,12,16H,7,9-11,13-14H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
3-(2-methoxyethyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine has a molecular weight of 404.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 53191354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).