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

C27H25N5 — CID 139326669

IUPAC2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2ccccc2n1
InChIInChI=1S/C27H25N5/c1-19-16-24(23-4-2-3-5-25(23)30-19)26-18-29-27-17-21(10-13-32(26)27)20-6-8-22(9-7-20)31-14-11-28-12-15-31/h2-10,13,16-18,28H,11-12,14-15H2,1H3
InChIKeyKVDFCDPSKGACEZ-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.93
Rot. Bonds3

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

2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 139326669) has the molecular formula C27H25N5 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID139326669
Molecular FormulaC27H25N5
Molecular Weight419.53 g/mol
Exact Mass419.21
IUPAC Name2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2ccccc2n1
InChIInChI=1S/C27H25N5/c1-19-16-24(23-4-2-3-5-25(23)30-19)26-18-29-27-17-21(10-13-32(26)27)20-6-8-22(9-7-20)31-14-11-28-12-15-31/h2-10,13,16-18,28H,11-12,14-15H2,1H3
InChIKeyKVDFCDPSKGACEZ-UHFFFAOYSA-N
XLogP4.93
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline (CID 139326669) is 2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline is Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is KVDFCDPSKGACEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5/c1-19-16-24(23-4-2-3-5-25(23)30-19)26-18-29-27-17-21(10-13-32(26)27)20-6-8-22(9-7-20)31-14-11-28-12-15-31/h2-10,13,16-18,28H,11-12,14-15H2,1H3.
What are the key properties of 2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline?
2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 419.53 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 139326669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).