3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

C22H21F4N3O4 — CID 171925666

IUPAC3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC1(CNC(=O)c2nc(-c3ccc(F)cc3)n3ccccc23)CCCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H20FN3O2.C2HF3O2/c1-20(10-4-12-26-20)13-22-19(25)17-16-5-2-3-11-24(16)18(23-17)14-6-8-15(21)9-7-14;3-2(4,5)1(6)7/h2-3,5-9,11H,4,10,12-13H2,1H3,(H,22,25);(H,6,7)
InChIKeyJNGHEDVEWXVXFU-UHFFFAOYSA-N
MW467.42 g/mol
LogP4.07
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171925666) has the molecular formula C22H21F4N3O4 and a molecular weight of 467.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171925666
Molecular FormulaC22H21F4N3O4
Molecular Weight467.42 g/mol
Exact Mass467.15
IUPAC Name3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC1(CNC(=O)c2nc(-c3ccc(F)cc3)n3ccccc23)CCCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H20FN3O2.C2HF3O2/c1-20(10-4-12-26-20)13-22-19(25)17-16-5-2-3-11-24(16)18(23-17)14-6-8-15(21)9-7-14;3-2(4,5)1(6)7/h2-3,5-9,11H,4,10,12-13H2,1H3,(H,22,25);(H,6,7)
InChIKeyJNGHEDVEWXVXFU-UHFFFAOYSA-N
XLogP4.07
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 171925666) is 3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is CC1(CNC(=O)c2nc(-c3ccc(F)cc3)n3ccccc23)CCCO1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JNGHEDVEWXVXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2.C2HF3O2/c1-20(10-4-12-26-20)13-22-19(25)17-16-5-2-3-11-24(16)18(23-17)14-6-8-15(21)9-7-14;3-2(4,5)1(6)7/h2-3,5-9,11H,4,10,12-13H2,1H3,(H,22,25);(H,6,7).
What are the key properties of 3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 467.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171925666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).