2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine

C19H18F4N4O2 — CID 162798643

IUPAC2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine
SMILESFC1CN(Cc2cccc(OC(F)(F)F)c2)CC1OCc1nc2ccncc2[nH]1
InChIInChI=1S/C19H18F4N4O2/c20-14-9-27(8-12-2-1-3-13(6-12)29-19(21,22)23)10-17(14)28-11-18-25-15-4-5-24-7-16(15)26-18/h1-7,14,17H,8-11H2,(H,25,26)
InChIKeyJEIKRIJBJMROOQ-UHFFFAOYSA-N
MW410.37 g/mol
LogP3.60
Rot. Bonds6

About 2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine

2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine (PubChem CID 162798643) has the molecular formula C19H18F4N4O2 and a molecular weight of 410.37 g/mol. Its IUPAC name is 2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine
PubChem CID162798643
Molecular FormulaC19H18F4N4O2
Molecular Weight410.37 g/mol
Exact Mass410.14
IUPAC Name2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine
SMILESFC1CN(Cc2cccc(OC(F)(F)F)c2)CC1OCc1nc2ccncc2[nH]1
InChIInChI=1S/C19H18F4N4O2/c20-14-9-27(8-12-2-1-3-13(6-12)29-19(21,22)23)10-17(14)28-11-18-25-15-4-5-24-7-16(15)26-18/h1-7,14,17H,8-11H2,(H,25,26)
InChIKeyJEIKRIJBJMROOQ-UHFFFAOYSA-N
XLogP3.60
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine (CID 162798643) is 2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine is FC1CN(Cc2cccc(OC(F)(F)F)c2)CC1OCc1nc2ccncc2[nH]1.
What is the InChIKey of 2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine?
The InChIKey is JEIKRIJBJMROOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4O2/c20-14-9-27(8-12-2-1-3-13(6-12)29-19(21,22)23)10-17(14)28-11-18-25-15-4-5-24-7-16(15)26-18/h1-7,14,17H,8-11H2,(H,25,26).
What are the key properties of 2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine?
2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 410.37 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 162798643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).