1-[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

C19H21ClN5+ — CID 4559968

IUPAC1-[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine
SMILESC[NH+]1CCN(N=Cc2nc(-c3ccc(Cl)cc3)n3ccccc23)CC1
InChIInChI=1S/C19H20ClN5/c1-23-10-12-24(13-11-23)21-14-17-18-4-2-3-9-25(18)19(22-17)15-5-7-16(20)8-6-15/h2-9,14H,10-13H2,1H3/p+1
InChIKeySTJJLPVVUXNLCX-UHFFFAOYSA-O
MW354.87 g/mol
LogP1.82
Rot. Bonds3

About 1-[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

1-[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine (PubChem CID 4559968) has the molecular formula C19H21ClN5+ and a molecular weight of 354.87 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine
PubChem CID4559968
Molecular FormulaC19H21ClN5+
Molecular Weight354.87 g/mol
Exact Mass354.15
IUPAC Name1-[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine
SMILESC[NH+]1CCN(N=Cc2nc(-c3ccc(Cl)cc3)n3ccccc23)CC1
InChIInChI=1S/C19H20ClN5/c1-23-10-12-24(13-11-23)21-14-17-18-4-2-3-9-25(18)19(22-17)15-5-7-16(20)8-6-15/h2-9,14H,10-13H2,1H3/p+1
InChIKeySTJJLPVVUXNLCX-UHFFFAOYSA-O
XLogP1.82
TPSA37.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.87
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine?
The IUPAC name of 1-[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine (CID 4559968) is 1-[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine?
The canonical SMILES for 1-[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine is C[NH+]1CCN(N=Cc2nc(-c3ccc(Cl)cc3)n3ccccc23)CC1.
What is the InChIKey of 1-[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine?
The InChIKey is STJJLPVVUXNLCX-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20ClN5/c1-23-10-12-24(13-11-23)21-14-17-18-4-2-3-9-25(18)19(22-17)15-5-7-16(20)8-6-15/h2-9,14H,10-13H2,1H3/p+1.
What are the key properties of 1-[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine?
1-[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine has a molecular weight of 354.87 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine is sourced from PubChem (CID 4559968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).