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

C27H25N5 — CID 54765389

IUPAC4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCN1CCN(c2ccc(-c3ccn4c(-c5ccnc6ccccc56)cnc4c3)cc2)CC1
InChIInChI=1S/C27H25N5/c1-30-14-16-31(17-15-30)22-8-6-20(7-9-22)21-11-13-32-26(19-29-27(32)18-21)24-10-12-28-25-5-3-2-4-23(24)25/h2-13,18-19H,14-17H2,1H3
InChIKeyCCQQGUYQSKWOPQ-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.97
Rot. Bonds3

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

4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 54765389) has the molecular formula C27H25N5 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID54765389
Molecular FormulaC27H25N5
Molecular Weight419.53 g/mol
Exact Mass419.21
IUPAC Name4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCN1CCN(c2ccc(-c3ccn4c(-c5ccnc6ccccc56)cnc4c3)cc2)CC1
InChIInChI=1S/C27H25N5/c1-30-14-16-31(17-15-30)22-8-6-20(7-9-22)21-11-13-32-26(19-29-27(32)18-21)24-10-12-28-25-5-3-2-4-23(24)25/h2-13,18-19H,14-17H2,1H3
InChIKeyCCQQGUYQSKWOPQ-UHFFFAOYSA-N
XLogP4.97
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline (CID 54765389) is 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline is CN1CCN(c2ccc(-c3ccn4c(-c5ccnc6ccccc56)cnc4c3)cc2)CC1.
What is the InChIKey of 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is CCQQGUYQSKWOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5/c1-30-14-16-31(17-15-30)22-8-6-20(7-9-22)21-11-13-32-26(19-29-27(32)18-21)24-10-12-28-25-5-3-2-4-23(24)25/h2-13,18-19H,14-17H2,1H3.
What are the key properties of 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 419.53 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 54765389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).