6,8-difluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline

C27H23F2N5 — CID 139326590

IUPAC6,8-difluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2cc(F)cc(F)c2n1
InChIInChI=1S/C27H23F2N5/c1-17-12-22(23-14-20(28)15-24(29)27(23)32-17)25-16-31-26-13-19(6-9-34(25)26)18-2-4-21(5-3-18)33-10-7-30-8-11-33/h2-6,9,12-16,30H,7-8,10-11H2,1H3
InChIKeyRUBWYYYEDDAWLB-UHFFFAOYSA-N
MW455.51 g/mol
LogP5.21
Rot. Bonds3

About 6,8-difluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline

6,8-difluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 139326590) has the molecular formula C27H23F2N5 and a molecular weight of 455.51 g/mol. Its IUPAC name is 6,8-difluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name6,8-difluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID139326590
Molecular FormulaC27H23F2N5
Molecular Weight455.51 g/mol
Exact Mass455.19
IUPAC Name6,8-difluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2cc(F)cc(F)c2n1
InChIInChI=1S/C27H23F2N5/c1-17-12-22(23-14-20(28)15-24(29)27(23)32-17)25-16-31-26-13-19(6-9-34(25)26)18-2-4-21(5-3-18)33-10-7-30-8-11-33/h2-6,9,12-16,30H,7-8,10-11H2,1H3
InChIKeyRUBWYYYEDDAWLB-UHFFFAOYSA-N
XLogP5.21
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 6,8-difluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline (CID 139326590) is 6,8-difluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 6,8-difluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 6,8-difluoro-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)cc(F)c2n1.
What is the InChIKey of 6,8-difluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is RUBWYYYEDDAWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N5/c1-17-12-22(23-14-20(28)15-24(29)27(23)32-17)25-16-31-26-13-19(6-9-34(25)26)18-2-4-21(5-3-18)33-10-7-30-8-11-33/h2-6,9,12-16,30H,7-8,10-11H2,1H3.
What are the key properties of 6,8-difluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
6,8-difluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 455.51 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 139326590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).