N-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C18H19F4N3O2 — CID 75472721

IUPACN-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCN(CCOc1cccc(F)c1)C(=O)C1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C18H19F4N3O2/c1-24(7-8-27-15-4-2-3-13(19)10-15)16(26)12-5-6-25-14(9-12)11-23-17(25)18(20,21)22/h2-4,10-12H,5-9H2,1H3
InChIKeyFLRZUJMGJAORGD-UHFFFAOYSA-N
MW385.36 g/mol
LogP3.14
Rot. Bonds5

About N-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

N-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 75472721) has the molecular formula C18H19F4N3O2 and a molecular weight of 385.36 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID75472721
Molecular FormulaC18H19F4N3O2
Molecular Weight385.36 g/mol
Exact Mass385.14
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCN(CCOc1cccc(F)c1)C(=O)C1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C18H19F4N3O2/c1-24(7-8-27-15-4-2-3-13(19)10-15)16(26)12-5-6-25-14(9-12)11-23-17(25)18(20,21)22/h2-4,10-12H,5-9H2,1H3
InChIKeyFLRZUJMGJAORGD-UHFFFAOYSA-N
XLogP3.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 75472721) is N-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is CN(CCOc1cccc(F)c1)C(=O)C1CCn2c(cnc2C(F)(F)F)C1.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is FLRZUJMGJAORGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N3O2/c1-24(7-8-27-15-4-2-3-13(19)10-15)16(26)12-5-6-25-14(9-12)11-23-17(25)18(20,21)22/h2-4,10-12H,5-9H2,1H3.
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 385.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 75472721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).