4-[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine

C27H30ClN7O3 — CID 135281298

IUPAC4-[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C27H30ClN7O3/c1-36-23-17-24(37-2)21(28)16-20(23)22-18-35-6-4-19(15-26(35)30-22)32-7-9-33(10-8-32)25-3-5-29-27(31-25)34-11-13-38-14-12-34/h3-6,15-18H,7-14H2,1-2H3
InChIKeyOCBQMZXQTVZSBR-UHFFFAOYSA-N
MW536.04 g/mol
LogP3.63
Rot. Bonds6

About 4-[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine

4-[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 135281298) has the molecular formula C27H30ClN7O3 and a molecular weight of 536.04 g/mol. Its IUPAC name is 4-[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID135281298
Molecular FormulaC27H30ClN7O3
Molecular Weight536.04 g/mol
Exact Mass535.21
IUPAC Name4-[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C27H30ClN7O3/c1-36-23-17-24(37-2)21(28)16-20(23)22-18-35-6-4-19(15-26(35)30-22)32-7-9-33(10-8-32)25-3-5-29-27(31-25)34-11-13-38-14-12-34/h3-6,15-18H,7-14H2,1-2H3
InChIKeyOCBQMZXQTVZSBR-UHFFFAOYSA-N
XLogP3.63
TPSA80.49 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.04
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

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
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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 135335286
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 135281275
1-[4-[2-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 140914692
4-[2-(5-fluoro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine
CID 135335218
2-(5-chloro-2,4-dimethoxyphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 135281250
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-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
[4-chloro-2-[7-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914512
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 135334872

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 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) is 4-[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine is COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 4-[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is OCBQMZXQTVZSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN7O3/c1-36-23-17-24(37-2)21(28)16-20(23)22-18-35-6-4-19(15-26(35)30-22)32-7-9-33(10-8-32)25-3-5-29-27(31-25)34-11-13-38-14-12-34/h3-6,15-18H,7-14H2,1-2H3.
What are the key properties of 4-[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 536.04 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 135281298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).