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

C27H24FN5 — CID 162673432

IUPAC6-fluoro-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCN1CCN(c2ccc(-c3ccn4c(-c5ccnc6ccc(F)cc56)cnc4c3)cc2)CC1
InChIInChI=1S/C27H24FN5/c1-31-12-14-32(15-13-31)22-5-2-19(3-6-22)20-9-11-33-26(18-30-27(33)16-20)23-8-10-29-25-7-4-21(28)17-24(23)25/h2-11,16-18H,12-15H2,1H3
InChIKeyGRUMMFYJQXQKPT-UHFFFAOYSA-N
MW437.52 g/mol
LogP5.11
Rot. Bonds3

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

6-fluoro-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 162673432) has the molecular formula C27H24FN5 and a molecular weight of 437.52 g/mol. Its IUPAC name is 6-fluoro-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name6-fluoro-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID162673432
Molecular FormulaC27H24FN5
Molecular Weight437.52 g/mol
Exact Mass437.20
IUPAC Name6-fluoro-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCN1CCN(c2ccc(-c3ccn4c(-c5ccnc6ccc(F)cc56)cnc4c3)cc2)CC1
InChIInChI=1S/C27H24FN5/c1-31-12-14-32(15-13-31)22-5-2-19(3-6-22)20-9-11-33-26(18-30-27(33)16-20)23-8-10-29-25-7-4-21(28)17-24(23)25/h2-11,16-18H,12-15H2,1H3
InChIKeyGRUMMFYJQXQKPT-UHFFFAOYSA-N
XLogP5.11
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.52
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 6-fluoro-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline (CID 162673432) is 6-fluoro-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 6-fluoro-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 6-fluoro-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline is CN1CCN(c2ccc(-c3ccn4c(-c5ccnc6ccc(F)cc56)cnc4c3)cc2)CC1.
What is the InChIKey of 6-fluoro-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is GRUMMFYJQXQKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5/c1-31-12-14-32(15-13-31)22-5-2-19(3-6-22)20-9-11-33-26(18-30-27(33)16-20)23-8-10-29-25-7-4-21(28)17-24(23)25/h2-11,16-18H,12-15H2,1H3.
What are the key properties of 6-fluoro-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
6-fluoro-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 437.52 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 162673432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).