3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid

C24H22F3N3O3 — CID 56593422

IUPAC3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCc1cc(-c2cnc3cc(-c4ccc(OC(C)C)cc4)ccn23)ccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H21N3O.C2HF3O2/c1-15(2)26-20-6-4-17(5-7-20)18-9-11-25-21(14-24-22(25)13-18)19-8-10-23-16(3)12-19;3-2(4,5)1(6)7/h4-15H,1-3H3;(H,6,7)
InChIKeyXUHQESNDIBYCOE-UHFFFAOYSA-N
MW457.45 g/mol
LogP5.79
Rot. Bonds4

About 3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid

3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 56593422) has the molecular formula C24H22F3N3O3 and a molecular weight of 457.45 g/mol. Its IUPAC name is 3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid
PubChem CID56593422
Molecular FormulaC24H22F3N3O3
Molecular Weight457.45 g/mol
Exact Mass457.16
IUPAC Name3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCc1cc(-c2cnc3cc(-c4ccc(OC(C)C)cc4)ccn23)ccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H21N3O.C2HF3O2/c1-15(2)26-20-6-4-17(5-7-20)18-9-11-25-21(14-24-22(25)13-18)19-8-10-23-16(3)12-19;3-2(4,5)1(6)7/h4-15H,1-3H3;(H,6,7)
InChIKeyXUHQESNDIBYCOE-UHFFFAOYSA-N
XLogP5.79
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.45
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid (CID 56593422) is 3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid is Cc1cc(-c2cnc3cc(-c4ccc(OC(C)C)cc4)ccn23)ccn1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is XUHQESNDIBYCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O.C2HF3O2/c1-15(2)26-20-6-4-17(5-7-20)18-9-11-25-21(14-24-22(25)13-18)19-8-10-23-16(3)12-19;3-2(4,5)1(6)7/h4-15H,1-3H3;(H,6,7).
What are the key properties of 3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid?
3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 457.45 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 56593422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).