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

C27H24FN5 — CID 139326665

IUPAC6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C27H24FN5/c1-18-14-24(23-16-21(28)4-7-25(23)31-18)26-17-30-27-15-20(8-11-33(26)27)19-2-5-22(6-3-19)32-12-9-29-10-13-32/h2-8,11,14-17,29H,9-10,12-13H2,1H3
InChIKeyAGMGRCAUAZCHPG-UHFFFAOYSA-N
MW437.52 g/mol
LogP5.07
Rot. Bonds3

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

6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 139326665) 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-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID139326665
Molecular FormulaC27H24FN5
Molecular Weight437.52 g/mol
Exact Mass437.20
IUPAC Name6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C27H24FN5/c1-18-14-24(23-16-21(28)4-7-25(23)31-18)26-17-30-27-15-20(8-11-33(26)27)19-2-5-22(6-3-19)32-12-9-29-10-13-32/h2-8,11,14-17,29H,9-10,12-13H2,1H3
InChIKeyAGMGRCAUAZCHPG-UHFFFAOYSA-N
XLogP5.07
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
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-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline (CID 139326665) is 6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline is Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is AGMGRCAUAZCHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5/c1-18-14-24(23-16-21(28)4-7-25(23)31-18)26-17-30-27-15-20(8-11-33(26)27)19-2-5-22(6-3-19)32-12-9-29-10-13-32/h2-8,11,14-17,29H,9-10,12-13H2,1H3.
What are the key properties of 6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
6-fluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 437.52 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 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-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 139326665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).