N-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide

C28H31ClN8O3 — CID 59291117

IUPACN-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide
SMILESCOc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(CN(C)C(C)=O)ccn23)n1
InChIInChI=1S/C28H31ClN8O3/c1-18(38)34(3)17-20-7-8-37-24(16-30-26(37)13-20)27-22(29)15-31-28(33-27)32-23-6-5-21(14-25(23)40-4)36-11-9-35(10-12-36)19(2)39/h5-8,13-16H,9-12,17H2,1-4H3,(H,31,32,33)
InChIKeyXBRWRYPYPUTVJS-UHFFFAOYSA-N
MW563.06 g/mol
LogP3.84
Rot. Bonds7

About N-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide

N-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide (PubChem CID 59291117) has the molecular formula C28H31ClN8O3 and a molecular weight of 563.06 g/mol. Its IUPAC name is N-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide
PubChem CID59291117
Molecular FormulaC28H31ClN8O3
Molecular Weight563.06 g/mol
Exact Mass562.22
IUPAC NameN-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide
SMILESCOc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(CN(C)C(C)=O)ccn23)n1
InChIInChI=1S/C28H31ClN8O3/c1-18(38)34(3)17-20-7-8-37-24(16-30-26(37)13-20)27-22(29)15-31-28(33-27)32-23-6-5-21(14-25(23)40-4)36-11-9-35(10-12-36)19(2)39/h5-8,13-16H,9-12,17H2,1-4H3,(H,31,32,33)
InChIKeyXBRWRYPYPUTVJS-UHFFFAOYSA-N
XLogP3.84
TPSA108.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.06
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-[[5-chloro-4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 59291147
5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 173096872
[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 59291061
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanol
CID 45380694
1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56683651
1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-fluoro-5-methoxyphenyl]piperazin-1-yl]ethanone
CID 45380508
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 68593342
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propanamide
CID 91082116
1-[4-[4-[(4-anilino-5-chloropyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 141445239
1-[4-[4-[[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-3-phenoxyphenyl]piperazin-1-yl]ethanone
CID 72546961
1-[4-[4-[[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-3-(tert-butylamino)phenyl]piperazin-1-yl]ethanone
CID 72547226
1-[4-[4-[[5-chloro-4-(oxan-4-ylmethylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 162732578

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide (CID 59291117) is N-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide is COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(CN(C)C(C)=O)ccn23)n1.
What is the InChIKey of N-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide?
The InChIKey is XBRWRYPYPUTVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN8O3/c1-18(38)34(3)17-20-7-8-37-24(16-30-26(37)13-20)27-22(29)15-31-28(33-27)32-23-6-5-21(14-25(23)40-4)36-11-9-35(10-12-36)19(2)39/h5-8,13-16H,9-12,17H2,1-4H3,(H,31,32,33).
What are the key properties of N-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide?
N-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide has a molecular weight of 563.06 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 59291117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).