1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone

C23H24N8O — CID 155470839

IUPAC1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(Nc3ncc(C)c(-c4cnc5ccccn45)n3)nc2)CC1
InChIInChI=1S/C23H24N8O/c1-16-13-26-23(28-22(16)19-15-25-21-5-3-4-8-31(19)21)27-20-7-6-18(14-24-20)30-11-9-29(10-12-30)17(2)32/h3-8,13-15H,9-12H2,1-2H3,(H,24,26,27,28)
InChIKeyCZFBWKNSZPJRBK-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.91
Rot. Bonds4

About 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone

1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 155470839) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone
PubChem CID155470839
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(Nc3ncc(C)c(-c4cnc5ccccn45)n3)nc2)CC1
InChIInChI=1S/C23H24N8O/c1-16-13-26-23(28-22(16)19-15-25-21-5-3-4-8-31(19)21)27-20-7-6-18(14-24-20)30-11-9-29(10-12-30)17(2)32/h3-8,13-15H,9-12H2,1-2H3,(H,24,26,27,28)
InChIKeyCZFBWKNSZPJRBK-UHFFFAOYSA-N
XLogP2.91
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one
CID 155470966
1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dimethylphenyl]piperazin-1-yl]ethanone
CID 45381987
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
1-[4-[6-[[4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 155573012
1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol
CID 68606042
1-[4-[6-[[4-[6-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 155573004
1-[4-[6-[[4-(6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 155573006
1-[4-[4-[(4-amino-5-methylpyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 141476497
1-[4-[6-[[4-[6-(6-thiabicyclo[3.2.1]octa-1(8),2,4-trien-8-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 175719571
[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
1-[4-[3-methoxy-4-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 67372205

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone (CID 155470839) is 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(Nc3ncc(C)c(-c4cnc5ccccn45)n3)nc2)CC1.
What is the InChIKey of 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is CZFBWKNSZPJRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c1-16-13-26-23(28-22(16)19-15-25-21-5-3-4-8-31(19)21)27-20-7-6-18(14-24-20)30-11-9-29(10-12-30)17(2)32/h3-8,13-15H,9-12H2,1-2H3,(H,24,26,27,28).
What are the key properties of 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 428.50 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 155470839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).