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

C28H26FN5 — CID 162658269

IUPAC6-fluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C28H26FN5/c1-19-15-25(24-17-22(29)5-8-26(24)31-19)27-18-30-28-16-21(9-10-34(27)28)20-3-6-23(7-4-20)33-13-11-32(2)12-14-33/h3-10,15-18H,11-14H2,1-2H3
InChIKeyDFQZCTKEPHHJJW-UHFFFAOYSA-N
MW451.55 g/mol
LogP5.42
Rot. Bonds3

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

6-fluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 162658269) has the molecular formula C28H26FN5 and a molecular weight of 451.55 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID162658269
Molecular FormulaC28H26FN5
Molecular Weight451.55 g/mol
Exact Mass451.22
IUPAC Name6-fluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C28H26FN5/c1-19-15-25(24-17-22(29)5-8-26(24)31-19)27-18-30-28-16-21(9-10-34(27)28)20-3-6-23(7-4-20)33-13-11-32(2)12-14-33/h3-10,15-18H,11-14H2,1-2H3
InChIKeyDFQZCTKEPHHJJW-UHFFFAOYSA-N
XLogP5.42
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.55
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 6-fluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline (CID 162658269) is 6-fluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 6-fluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline is Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is DFQZCTKEPHHJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5/c1-19-15-25(24-17-22(29)5-8-26(24)31-19)27-18-30-28-16-21(9-10-34(27)28)20-3-6-23(7-4-20)33-13-11-32(2)12-14-33/h3-10,15-18H,11-14H2,1-2H3.
What are the key properties of 6-fluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
6-fluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 451.55 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 162658269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).