4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide

C23H23ClN8O2 — CID 45381640

IUPAC4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(N)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H23ClN8O2/c1-34-19-12-15(30-8-10-31(11-9-30)22(25)33)5-6-17(19)28-23-27-13-16(24)21(29-23)18-14-26-20-4-2-3-7-32(18)20/h2-7,12-14H,8-11H2,1H3,(H2,25,33)(H,27,28,29)
InChIKeyAFEDHDLLXVXFNK-UHFFFAOYSA-N
MW478.94 g/mol
LogP3.40
Rot. Bonds5

About 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide

4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide (PubChem CID 45381640) has the molecular formula C23H23ClN8O2 and a molecular weight of 478.94 g/mol. Its IUPAC name is 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide
PubChem CID45381640
Molecular FormulaC23H23ClN8O2
Molecular Weight478.94 g/mol
Exact Mass478.16
IUPAC Name4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(N)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H23ClN8O2/c1-34-19-12-15(30-8-10-31(11-9-30)22(25)33)5-6-17(19)28-23-27-13-16(24)21(29-23)18-14-26-20-4-2-3-7-32(18)20/h2-7,12-14H,8-11H2,1H3,(H2,25,33)(H,27,28,29)
InChIKeyAFEDHDLLXVXFNK-UHFFFAOYSA-N
XLogP3.40
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

AZ191
CID 72716071
1-[4-[4-[[5-Chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 68165399
N6-cyclohexyl-N2-(2-methoxy-4-piperazin-1-yl-phenyl)-9H-purine-2,6-diamine
CID 68452965
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-(5-Chloro-4-(imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenoxy)piperidin-1-yl)ethanone
CID 45380893
1-[4-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-yl-pyrimidin-2-yl)amino]-3-methoxy-phenyl]piperazin-1-yl]ethanone
CID 53380818
1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56659844
1-[4-[4-[[5-Chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56663313
1-(4-(4-(5-Chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenyl)piperazin-1-yl)ethanone
CID 56663314
1-[4-[4-[[5-Chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56663315
5-chloro-4-(imidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-(4-(2-(methylsulfonyl)ethyl)piperazin-1-yl)phenyl)pyrimidin-2-amine
CID 56663566
2-[4-(4-Acetylpiperazin-1-yl)-2-methoxyanilino]-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carbonitrile
CID 56666509

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide (CID 45381640) is 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide is COc1cc(N2CCN(C(N)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide?
The InChIKey is AFEDHDLLXVXFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN8O2/c1-34-19-12-15(30-8-10-31(11-9-30)22(25)33)5-6-17(19)28-23-27-13-16(24)21(29-23)18-14-26-20-4-2-3-7-32(18)20/h2-7,12-14H,8-11H2,1H3,(H2,25,33)(H,27,28,29).
What are the key properties of 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide?
4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide has a molecular weight of 478.94 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide is sourced from PubChem (CID 45381640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).