3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

C21H18FN3O — CID 54765365

IUPAC3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)Oc1ccc(-c2ccn3c(-c4ccnc(F)c4)cnc3c2)cc1
InChIInChI=1S/C21H18FN3O/c1-14(2)26-18-5-3-15(4-6-18)16-8-10-25-19(13-24-21(25)12-16)17-7-9-23-20(22)11-17/h3-14H,1-2H3
InChIKeyAFVHBNKBQFTZKW-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.99
Rot. Bonds4

About 3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 54765365) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
PubChem CID54765365
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)Oc1ccc(-c2ccn3c(-c4ccnc(F)c4)cnc3c2)cc1
InChIInChI=1S/C21H18FN3O/c1-14(2)26-18-5-3-15(4-6-18)16-8-10-25-19(13-24-21(25)12-16)17-7-9-23-20(22)11-17/h3-14H,1-2H3
InChIKeyAFVHBNKBQFTZKW-UHFFFAOYSA-N
XLogP4.99
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 56593408
3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid
CID 56593422
3-(3-bromo-2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 56593425
3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 57339391
7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid
CID 57339379
7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine
CID 56593403
7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 53393117
4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline
CID 68541986
3-[4-(difluoromethyl)phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179303
7-methoxy-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179276
3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 56593407
4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile
CID 168925217

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (CID 54765365) is 3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is CC(C)Oc1ccc(-c2ccn3c(-c4ccnc(F)c4)cnc3c2)cc1.
What is the InChIKey of 3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is AFVHBNKBQFTZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-14(2)26-18-5-3-15(4-6-18)16-8-10-25-19(13-24-21(25)12-16)17-7-9-23-20(22)11-17/h3-14H,1-2H3.
What are the key properties of 3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 347.39 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 54765365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).