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

C27H23F2N5 — CID 139495368

IUPAC6,8-difluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(C5CNCCN5)cc4)ccn23)c2cc(F)cc(F)c2n1
InChIInChI=1S/C27H23F2N5/c1-16-10-21(22-12-20(28)13-23(29)27(22)33-16)25-15-32-26-11-19(6-9-34(25)26)17-2-4-18(5-3-17)24-14-30-7-8-31-24/h2-6,9-13,15,24,30-31H,7-8,14H2,1H3
InChIKeyUBTPOMHEYRBEHT-UHFFFAOYSA-N
MW455.51 g/mol
LogP5.04
Rot. Bonds3

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

6,8-difluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 139495368) 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-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name6,8-difluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID139495368
Molecular FormulaC27H23F2N5
Molecular Weight455.51 g/mol
Exact Mass455.19
IUPAC Name6,8-difluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(C5CNCCN5)cc4)ccn23)c2cc(F)cc(F)c2n1
InChIInChI=1S/C27H23F2N5/c1-16-10-21(22-12-20(28)13-23(29)27(22)33-16)25-15-32-26-11-19(6-9-34(25)26)17-2-4-18(5-3-17)24-14-30-7-8-31-24/h2-6,9-13,15,24,30-31H,7-8,14H2,1H3
InChIKeyUBTPOMHEYRBEHT-UHFFFAOYSA-N
XLogP5.04
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.04
H-Bond Donors ≤ 52
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-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 6,8-difluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline (CID 139495368) is 6,8-difluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 6,8-difluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 6,8-difluoro-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)cc(F)c2n1.
What is the InChIKey of 6,8-difluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is UBTPOMHEYRBEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N5/c1-16-10-21(22-12-20(28)13-23(29)27(22)33-16)25-15-32-26-11-19(6-9-34(25)26)17-2-4-18(5-3-17)24-14-30-7-8-31-24/h2-6,9-13,15,24,30-31H,7-8,14H2,1H3.
What are the key properties of 6,8-difluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
6,8-difluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 455.51 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 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-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 139495368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).