6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

C18H21ClN6 — CID 133468945

IUPAC6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCc1cnc(C)c(N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)n1
InChIInChI=1S/C18H21ClN6/c1-13-9-20-14(2)18(21-13)24-7-5-23(6-8-24)11-16-12-25-10-15(19)3-4-17(25)22-16/h3-4,9-10,12H,5-8,11H2,1-2H3
InChIKeyVDKPLGBZJNSPMN-UHFFFAOYSA-N
MW356.86 g/mol
LogP2.72
Rot. Bonds3

About 6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 133468945) has the molecular formula C18H21ClN6 and a molecular weight of 356.86 g/mol. Its IUPAC name is 6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID133468945
Molecular FormulaC18H21ClN6
Molecular Weight356.86 g/mol
Exact Mass356.15
IUPAC Name6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCc1cnc(C)c(N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)n1
InChIInChI=1S/C18H21ClN6/c1-13-9-20-14(2)18(21-13)24-7-5-23(6-8-24)11-16-12-25-10-15(19)3-4-17(25)22-16/h3-4,9-10,12H,5-8,11H2,1-2H3
InChIKeyVDKPLGBZJNSPMN-UHFFFAOYSA-N
XLogP2.72
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 133468945) is 6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine is Cc1cnc(C)c(N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)n1.
What is the InChIKey of 6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is VDKPLGBZJNSPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6/c1-13-9-20-14(2)18(21-13)24-7-5-23(6-8-24)11-16-12-25-10-15(19)3-4-17(25)22-16/h3-4,9-10,12H,5-8,11H2,1-2H3.
What are the key properties of 6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 356.86 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 133468945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).