2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine

C21H26ClN5O4S — CID 135281222

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C(C)C)CC4)nc3n2)cc1Cl
InChIInChI=1S/C21H26ClN5O4S/c1-14(2)32(28,29)27-9-7-25(8-10-27)20-5-6-26-13-17(23-21(26)24-20)15-11-16(22)19(31-4)12-18(15)30-3/h5-6,11-14H,7-10H2,1-4H3
InChIKeyUDZZFEHFSUMLJL-UHFFFAOYSA-N
MW479.99 g/mol
LogP2.93
Rot. Bonds6

About 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine

2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine (PubChem CID 135281222) has the molecular formula C21H26ClN5O4S and a molecular weight of 479.99 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine
PubChem CID135281222
Molecular FormulaC21H26ClN5O4S
Molecular Weight479.99 g/mol
Exact Mass479.14
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C(C)C)CC4)nc3n2)cc1Cl
InChIInChI=1S/C21H26ClN5O4S/c1-14(2)32(28,29)27-9-7-25(8-10-27)20-5-6-26-13-17(23-21(26)24-20)15-11-16(22)19(31-4)12-18(15)30-3/h5-6,11-14H,7-10H2,1-4H3
InChIKeyUDZZFEHFSUMLJL-UHFFFAOYSA-N
XLogP2.93
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(S)-1-(2-(5-Chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl)-N-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 135281262
example 203 [WO2017058503A1]
CID 140914460
N'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine
CID 135334973
Phenol, 4-imidazo(1,2-a)pyrazin-2-yl-3-methoxy-, methanesulfonate (ester)
CID 13670632
Phenol, 4-imidazo(1,2-a)pyrimidin-2-yl-3-methoxy-, methanesulfonate (ester)
CID 13670625
2-[4-[2-(5-Chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 135281208
4-[4-[2-(5-Chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine
CID 135281212
(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide
CID 135281215
2-(5-Chloro-2,4-dimethoxyphenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)imidazo[1,2-a]pyridine
CID 135281233
1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine
CID 135281235
2-(5-Chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine
CID 135281238
2-(5-Chloro-2,4-dimethoxyphenyl)-7-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
CID 135281240

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine (CID 135281222) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine is COc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C(C)C)CC4)nc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine?
The InChIKey is UDZZFEHFSUMLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O4S/c1-14(2)32(28,29)27-9-7-25(8-10-27)20-5-6-26-13-17(23-21(26)24-20)15-11-16(22)19(31-4)12-18(15)30-3/h5-6,11-14H,7-10H2,1-4H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine has a molecular weight of 479.99 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 135281222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).