3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline

C20H25N5 — CID 39120486

IUPAC3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
SMILESCc1cccc2nc(-c3cccc(N)c3)c(CN3CCN(C)CC3)n12
InChIInChI=1S/C20H25N5/c1-15-5-3-8-19-22-20(16-6-4-7-17(21)13-16)18(25(15)19)14-24-11-9-23(2)10-12-24/h3-8,13H,9-12,14,21H2,1-2H3
InChIKeyJMEDOQFXWHRKBN-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.64
Rot. Bonds3

About 3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline

3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline (PubChem CID 39120486) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline.

Molecular Properties

Compound Name3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
PubChem CID39120486
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
SMILESCc1cccc2nc(-c3cccc(N)c3)c(CN3CCN(C)CC3)n12
InChIInChI=1S/C20H25N5/c1-15-5-3-8-19-22-20(16-6-4-7-17(21)13-16)18(25(15)19)14-24-11-9-23(2)10-12-24/h3-8,13H,9-12,14,21H2,1-2H3
InChIKeyJMEDOQFXWHRKBN-UHFFFAOYSA-N
XLogP2.64
TPSA49.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
The IUPAC name of 3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline (CID 39120486) is 3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline.
What is the SMILES notation for 3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
The canonical SMILES for 3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline is Cc1cccc2nc(-c3cccc(N)c3)c(CN3CCN(C)CC3)n12.
What is the InChIKey of 3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
The InChIKey is JMEDOQFXWHRKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-15-5-3-8-19-22-20(16-6-4-7-17(21)13-16)18(25(15)19)14-24-11-9-23(2)10-12-24/h3-8,13H,9-12,14,21H2,1-2H3.
What are the key properties of 3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline has a molecular weight of 335.45 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline is sourced from PubChem (CID 39120486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).