1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane

C26H36ClN5O — CID 143550752

IUPAC1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane
SMILESCC.CCCCC(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(C)cc4Cl)cn23)CC1
InChIInChI=1S/C24H30ClN5O.C2H6/c1-3-4-5-24(31)29-10-8-28(9-11-29)23-15-27-22-13-18(14-26)20(16-30(22)23)19-7-6-17(2)12-21(19)25;1-2/h6-7,12-13,15-16H,3-5,8-11,14,26H2,1-2H3;1-2H3
InChIKeyZOXGFFNVYAIOFH-UHFFFAOYSA-N
MW470.06 g/mol
LogP5.29
Rot. Bonds6

About 1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane

1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane (PubChem CID 143550752) has the molecular formula C26H36ClN5O and a molecular weight of 470.06 g/mol. Its IUPAC name is 1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane.

Molecular Properties

Compound Name1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane
PubChem CID143550752
Molecular FormulaC26H36ClN5O
Molecular Weight470.06 g/mol
Exact Mass469.26
IUPAC Name1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane
SMILESCC.CCCCC(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(C)cc4Cl)cn23)CC1
InChIInChI=1S/C24H30ClN5O.C2H6/c1-3-4-5-24(31)29-10-8-28(9-11-29)23-15-27-22-13-18(14-26)20(16-30(22)23)19-7-6-17(2)12-21(19)25;1-2/h6-7,12-13,15-16H,3-5,8-11,14,26H2,1-2H3;1-2H3
InChIKeyZOXGFFNVYAIOFH-UHFFFAOYSA-N
XLogP5.29
TPSA66.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.06
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one
CID 143550753
1-[4-[7-(aminomethyl)-6-(2-chloro-4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone
CID 143550723
[6-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 143550682
1-[4-(2-bromo-4-methylphenyl)piperazin-1-yl]pentan-1-one
CID 113079460
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 17217206
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one
CID 113075585
1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 113080325
1-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 894959
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one
CID 25284972
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-[4-[2-(aminomethyl)-5-methylphenyl]piperazin-1-yl]ethanone
CID 62307234
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 17191316

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane?
The IUPAC name of 1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane (CID 143550752) is 1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane.
What is the SMILES notation for 1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane?
The canonical SMILES for 1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane is CC.CCCCC(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(C)cc4Cl)cn23)CC1.
What is the InChIKey of 1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane?
The InChIKey is ZOXGFFNVYAIOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O.C2H6/c1-3-4-5-24(31)29-10-8-28(9-11-29)23-15-27-22-13-18(14-26)20(16-30(22)23)19-7-6-17(2)12-21(19)25;1-2/h6-7,12-13,15-16H,3-5,8-11,14,26H2,1-2H3;1-2H3.
What are the key properties of 1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane?
1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane has a molecular weight of 470.06 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(aminomethyl)-6-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]pentan-1-one;ethane is sourced from PubChem (CID 143550752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).