2-(2,4-dimethylphenyl)-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine;ethane;3-methylbut-1-ene

C31H51N5 — CID 144747981

IUPAC2-(2,4-dimethylphenyl)-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine;ethane;3-methylbut-1-ene
SMILESC=CC(C)C.CC.CC.CNc1ccc2nc(-c3ccc(C)cc3C)c(CN3CCN(C)CC3)n2c1
InChIInChI=1S/C22H29N5.C5H10.2C2H6/c1-16-5-7-19(17(2)13-16)22-20(15-26-11-9-25(4)10-12-26)27-14-18(23-3)6-8-21(27)24-22;1-4-5(2)3;2*1-2/h5-8,13-14,23H,9-12,15H2,1-4H3;4-5H,1H2,2-3H3;2*1-2H3
InChIKeyGNBNHUGSBBUYBT-UHFFFAOYSA-N
MW493.78 g/mol
LogP7.29
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine;ethane;3-methylbut-1-ene

2-(2,4-dimethylphenyl)-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine;ethane;3-methylbut-1-ene (PubChem CID 144747981) has the molecular formula C31H51N5 and a molecular weight of 493.78 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine;ethane;3-methylbut-1-ene.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine;ethane;3-methylbut-1-ene
PubChem CID144747981
Molecular FormulaC31H51N5
Molecular Weight493.78 g/mol
Exact Mass493.41
IUPAC Name2-(2,4-dimethylphenyl)-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine;ethane;3-methylbut-1-ene
SMILESC=CC(C)C.CC.CC.CNc1ccc2nc(-c3ccc(C)cc3C)c(CN3CCN(C)CC3)n2c1
InChIInChI=1S/C22H29N5.C5H10.2C2H6/c1-16-5-7-19(17(2)13-16)22-20(15-26-11-9-25(4)10-12-26)27-14-18(23-3)6-8-21(27)24-22;1-4-5(2)3;2*1-2/h5-8,13-14,23H,9-12,15H2,1-4H3;4-5H,1H2,2-3H3;2*1-2H3
InChIKeyGNBNHUGSBBUYBT-UHFFFAOYSA-N
XLogP7.29
TPSA35.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.78
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylphenyl)-N-ethyl-3-methylimidazo[1,2-a]pyridin-6-amine
CID 82059764
6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 144747931
3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029821
2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060558
6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-prop-2-enylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 144748059
1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 83281402
2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 165344231
[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 83285862
N-[2-(2,4-dichlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
CID 121309882
(3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 30693470
1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286724
1-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286730

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine;ethane;3-methylbut-1-ene?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine;ethane;3-methylbut-1-ene (CID 144747981) is 2-(2,4-dimethylphenyl)-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine;ethane;3-methylbut-1-ene.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine;ethane;3-methylbut-1-ene?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine;ethane;3-methylbut-1-ene is C=CC(C)C.CC.CC.CNc1ccc2nc(-c3ccc(C)cc3C)c(CN3CCN(C)CC3)n2c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine;ethane;3-methylbut-1-ene?
The InChIKey is GNBNHUGSBBUYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5.C5H10.2C2H6/c1-16-5-7-19(17(2)13-16)22-20(15-26-11-9-25(4)10-12-26)27-14-18(23-3)6-8-21(27)24-22;1-4-5(2)3;2*1-2/h5-8,13-14,23H,9-12,15H2,1-4H3;4-5H,1H2,2-3H3;2*1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine;ethane;3-methylbut-1-ene?
2-(2,4-dimethylphenyl)-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine;ethane;3-methylbut-1-ene has a molecular weight of 493.78 g/mol, XLogP of 7.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine;ethane;3-methylbut-1-ene is sourced from PubChem (CID 144747981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).