1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

C24H25N7O2 — CID 56659843

IUPAC1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1nccc(-c2cnc3ccccn23)n1
InChIInChI=1S/C24H25N7O2/c1-17(32)29-11-13-30(14-12-29)18-6-7-20(22(15-18)33-2)28-24-25-9-8-19(27-24)21-16-26-23-5-3-4-10-31(21)23/h3-10,15-16H,11-14H2,1-2H3,(H,25,27,28)
InChIKeyTVELTFUDLWTOQQ-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.21
Rot. Bonds5

About 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (PubChem CID 56659843) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
PubChem CID56659843
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1nccc(-c2cnc3ccccn23)n1
InChIInChI=1S/C24H25N7O2/c1-17(32)29-11-13-30(14-12-29)18-6-7-20(22(15-18)33-2)28-24-25-9-8-19(27-24)21-16-26-23-5-3-4-10-31(21)23/h3-10,15-16H,11-14H2,1-2H3,(H,25,27,28)
InChIKeyTVELTFUDLWTOQQ-UHFFFAOYSA-N
XLogP3.21
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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AZ191
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N6-cyclohexyl-N2-(2-methoxy-4-piperazin-1-yl-phenyl)-9H-purine-2,6-diamine
CID 68452965
6-N-cyclohexyl-2-N-[2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-7H-purine-2,6-diamine
CID 69180122
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CID 69181574
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (CID 56659843) is 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1nccc(-c2cnc3ccccn23)n1.
What is the InChIKey of 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The InChIKey is TVELTFUDLWTOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-17(32)29-11-13-30(14-12-29)18-6-7-20(22(15-18)33-2)28-24-25-9-8-19(27-24)21-16-26-23-5-3-4-10-31(21)23/h3-10,15-16H,11-14H2,1-2H3,(H,25,27,28).
What are the key properties of 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone has a molecular weight of 443.51 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56659843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).