6-(2-fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

C25H25FN2O2 — CID 134179847

IUPAC6-(2-fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)Oc1ccc(-c2cnc3ccc(-c4ccc(OC(C)C)cc4F)cn23)cc1
InChIInChI=1S/C25H25FN2O2/c1-16(2)29-20-8-5-18(6-9-20)24-14-27-25-12-7-19(15-28(24)25)22-11-10-21(13-23(22)26)30-17(3)4/h5-17H,1-4H3
InChIKeyNIFGJWAPVJHTHR-UHFFFAOYSA-N
MW404.49 g/mol
LogP6.38
Rot. Bonds6

About 6-(2-fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

6-(2-fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 134179847) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 6-(2-fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-(2-fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
PubChem CID134179847
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name6-(2-fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)Oc1ccc(-c2cnc3ccc(-c4ccc(OC(C)C)cc4F)cn23)cc1
InChIInChI=1S/C25H25FN2O2/c1-16(2)29-20-8-5-18(6-9-20)24-14-27-25-12-7-19(15-28(24)25)22-11-10-21(13-23(22)26)30-17(3)4/h5-17H,1-4H3
InChIKeyNIFGJWAPVJHTHR-UHFFFAOYSA-N
XLogP6.38
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-(2-fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (CID 134179847) is 6-(2-fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-(2-fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-(2-fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is CC(C)Oc1ccc(-c2cnc3ccc(-c4ccc(OC(C)C)cc4F)cn23)cc1.
What is the InChIKey of 6-(2-fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is NIFGJWAPVJHTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c1-16(2)29-20-8-5-18(6-9-20)24-14-27-25-12-7-19(15-28(24)25)22-11-10-21(13-23(22)26)30-17(3)4/h5-17H,1-4H3.
What are the key properties of 6-(2-fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
6-(2-fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 404.49 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 134179847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).