6-fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline

C27H24FN5 — CID 139495363

IUPAC6-fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(C5CNCCN5)cc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C27H24FN5/c1-17-12-23(22-14-21(28)6-7-24(22)32-17)26-16-31-27-13-20(8-11-33(26)27)18-2-4-19(5-3-18)25-15-29-9-10-30-25/h2-8,11-14,16,25,29-30H,9-10,15H2,1H3
InChIKeyAQSMGLCCQDFZHZ-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.90
Rot. Bonds3

About 6-fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline

6-fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 139495363) has the molecular formula C27H24FN5 and a molecular weight of 437.52 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID139495363
Molecular FormulaC27H24FN5
Molecular Weight437.52 g/mol
Exact Mass437.20
IUPAC Name6-fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(C5CNCCN5)cc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C27H24FN5/c1-17-12-23(22-14-21(28)6-7-24(22)32-17)26-16-31-27-13-20(8-11-33(26)27)18-2-4-19(5-3-18)25-15-29-9-10-30-25/h2-8,11-14,16,25,29-30H,9-10,15H2,1H3
InChIKeyAQSMGLCCQDFZHZ-UHFFFAOYSA-N
XLogP4.90
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 6-fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline (CID 139495363) is 6-fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 6-fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline is Cc1cc(-c2cnc3cc(-c4ccc(C5CNCCN5)cc4)ccn23)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is AQSMGLCCQDFZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5/c1-17-12-23(22-14-21(28)6-7-24(22)32-17)26-16-31-27-13-20(8-11-33(26)27)18-2-4-19(5-3-18)25-15-29-9-10-30-25/h2-8,11-14,16,25,29-30H,9-10,15H2,1H3.
What are the key properties of 6-fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
6-fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 437.52 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 139495363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).