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

C28H27N5 — CID 134356888

IUPAC2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1ccc2c(-c3cnc4cc(-c5ccc(N6CCNCC6)cc5)ccn34)cc(C)nc2c1
InChIInChI=1S/C28H27N5/c1-19-3-8-24-25(16-20(2)31-26(24)15-19)27-18-30-28-17-22(9-12-33(27)28)21-4-6-23(7-5-21)32-13-10-29-11-14-32/h3-9,12,15-18,29H,10-11,13-14H2,1-2H3
InChIKeyXMAQQFQMRWRDNU-UHFFFAOYSA-N
MW433.56 g/mol
LogP5.24
Rot. Bonds3

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

2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 134356888) has the molecular formula C28H27N5 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID134356888
Molecular FormulaC28H27N5
Molecular Weight433.56 g/mol
Exact Mass433.23
IUPAC Name2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1ccc2c(-c3cnc4cc(-c5ccc(N6CCNCC6)cc5)ccn34)cc(C)nc2c1
InChIInChI=1S/C28H27N5/c1-19-3-8-24-25(16-20(2)31-26(24)15-19)27-18-30-28-17-22(9-12-33(27)28)21-4-6-23(7-5-21)32-13-10-29-11-14-32/h3-9,12,15-18,29H,10-11,13-14H2,1-2H3
InChIKeyXMAQQFQMRWRDNU-UHFFFAOYSA-N
XLogP5.24
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline (CID 134356888) is 2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline is Cc1ccc2c(-c3cnc4cc(-c5ccc(N6CCNCC6)cc5)ccn34)cc(C)nc2c1.
What is the InChIKey of 2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is XMAQQFQMRWRDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5/c1-19-3-8-24-25(16-20(2)31-26(24)15-19)27-18-30-28-17-22(9-12-33(27)28)21-4-6-23(7-5-21)32-13-10-29-11-14-32/h3-9,12,15-18,29H,10-11,13-14H2,1-2H3.
What are the key properties of 2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 433.56 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 134356888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).