6-[[8-fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline

C24H17F2N3O — CID 122179437

IUPAC6-[[8-fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
SMILESCOc1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C24H17F2N3O/c1-30-23-7-5-16(11-20(23)25)18-12-21(26)24-28-13-19(29(24)14-18)10-15-4-6-22-17(9-15)3-2-8-27-22/h2-9,11-14H,10H2,1H3
InChIKeyMGVBZZRVTXDFSU-UHFFFAOYSA-N
MW401.42 g/mol
LogP5.43
Rot. Bonds4

About 6-[[8-fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline

6-[[8-fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline (PubChem CID 122179437) has the molecular formula C24H17F2N3O and a molecular weight of 401.42 g/mol. Its IUPAC name is 6-[[8-fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[8-fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
PubChem CID122179437
Molecular FormulaC24H17F2N3O
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name6-[[8-fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
SMILESCOc1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C24H17F2N3O/c1-30-23-7-5-16(11-20(23)25)18-12-21(26)24-28-13-19(29(24)14-18)10-15-4-6-22-17(9-15)3-2-8-27-22/h2-9,11-14H,10H2,1H3
InChIKeyMGVBZZRVTXDFSU-UHFFFAOYSA-N
XLogP5.43
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[8-fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[8-fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline (CID 122179437) is 6-[[8-fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[8-fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[8-fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline is COc1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F.
What is the InChIKey of 6-[[8-fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline?
The InChIKey is MGVBZZRVTXDFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O/c1-30-23-7-5-16(11-20(23)25)18-12-21(26)24-28-13-19(29(24)14-18)10-15-4-6-22-17(9-15)3-2-8-27-22/h2-9,11-14H,10H2,1H3.
What are the key properties of 6-[[8-fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline?
6-[[8-fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline has a molecular weight of 401.42 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline is sourced from PubChem (CID 122179437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).