2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine

C19H21ClN4 — CID 138515829

IUPAC2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine
SMILESCc1c(-c2cc(N3CCN(C)CC3)ccc2Cl)nc2ccccn12
InChIInChI=1S/C19H21ClN4/c1-14-19(21-18-5-3-4-8-24(14)18)16-13-15(6-7-17(16)20)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3
InChIKeySWENVRAATDBTFV-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.71
Rot. Bonds2

About 2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine

2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine (PubChem CID 138515829) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine
PubChem CID138515829
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine
SMILESCc1c(-c2cc(N3CCN(C)CC3)ccc2Cl)nc2ccccn12
InChIInChI=1S/C19H21ClN4/c1-14-19(21-18-5-3-4-8-24(14)18)16-13-15(6-7-17(16)20)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3
InChIKeySWENVRAATDBTFV-UHFFFAOYSA-N
XLogP3.71
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine (CID 138515829) is 2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine is Cc1c(-c2cc(N3CCN(C)CC3)ccc2Cl)nc2ccccn12.
What is the InChIKey of 2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine?
The InChIKey is SWENVRAATDBTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c1-14-19(21-18-5-3-4-8-24(14)18)16-13-15(6-7-17(16)20)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine?
2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine has a molecular weight of 340.86 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 138515829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).