4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine

C27H31ClN8O3 — CID 135335522

IUPAC4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5cc(N6CCOCC6)nc(N)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C27H31ClN8O3/c1-37-22-15-23(38-2)20(28)14-19(22)21-17-36-4-3-18(13-24(36)30-21)33-5-7-34(8-6-33)25-16-26(32-27(29)31-25)35-9-11-39-12-10-35/h3-4,13-17H,5-12H2,1-2H3,(H2,29,31,32)
InChIKeyNCQZHMHYSJERLL-UHFFFAOYSA-N
MW551.05 g/mol
LogP3.21
Rot. Bonds6

About 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine

4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 135335522) has the molecular formula C27H31ClN8O3 and a molecular weight of 551.05 g/mol. Its IUPAC name is 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID135335522
Molecular FormulaC27H31ClN8O3
Molecular Weight551.05 g/mol
Exact Mass550.22
IUPAC Name4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5cc(N6CCOCC6)nc(N)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C27H31ClN8O3/c1-37-22-15-23(38-2)20(28)14-19(22)21-17-36-4-3-18(13-24(36)30-21)33-5-7-34(8-6-33)25-16-26(32-27(29)31-25)35-9-11-39-12-10-35/h3-4,13-17H,5-12H2,1-2H3,(H2,29,31,32)
InChIKeyNCQZHMHYSJERLL-UHFFFAOYSA-N
XLogP3.21
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.05
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

4-[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 135281298
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 135335286
2-(5-chloro-2,4-dimethoxyphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 135281250
4-[2-(5-fluoro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine
CID 135335218
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 135335453
1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperidin-4-amine
CID 135335326
6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 135281259
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 135281275
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 135334872
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine
CID 135334922
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine
CID 135335495
4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine
CID 154699429

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine (CID 135335522) is 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine is COc1cc(OC)c(-c2cn3ccc(N4CCN(c5cc(N6CCOCC6)nc(N)n5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is NCQZHMHYSJERLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN8O3/c1-37-22-15-23(38-2)20(28)14-19(22)21-17-36-4-3-18(13-24(36)30-21)33-5-7-34(8-6-33)25-16-26(32-27(29)31-25)35-9-11-39-12-10-35/h3-4,13-17H,5-12H2,1-2H3,(H2,29,31,32).
What are the key properties of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine?
4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 551.05 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 135335522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).