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

C23H28ClN5O4S — CID 135334869

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-cyclopentylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CCCC5)CC4)nc3n2)cc1Cl
InChIInChI=1S/C23H28ClN5O4S/c1-32-20-14-21(33-2)18(24)13-17(20)19-15-28-8-7-22(26-23(28)25-19)27-9-11-29(12-10-27)34(30,31)16-5-3-4-6-16/h7-8,13-16H,3-6,9-12H2,1-2H3
InChIKeyPUQMBNGJPAXDNC-UHFFFAOYSA-N
MW506.03 g/mol
LogP3.46
Rot. Bonds6

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

2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-cyclopentylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine (PubChem CID 135334869) has the molecular formula C23H28ClN5O4S and a molecular weight of 506.03 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-cyclopentylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-cyclopentylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine
PubChem CID135334869
Molecular FormulaC23H28ClN5O4S
Molecular Weight506.03 g/mol
Exact Mass505.16
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-cyclopentylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CCCC5)CC4)nc3n2)cc1Cl
InChIInChI=1S/C23H28ClN5O4S/c1-32-20-14-21(33-2)18(24)13-17(20)19-15-28-8-7-22(26-23(28)25-19)27-9-11-29(12-10-27)34(30,31)16-5-3-4-6-16/h7-8,13-16H,3-6,9-12H2,1-2H3
InChIKeyPUQMBNGJPAXDNC-UHFFFAOYSA-N
XLogP3.46
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.03
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-5-methoxyphenyl]methanol
CID 140914558
(3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine
CID 135335362
(3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride
CID 135335613
4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide
CID 140914571
2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine
CID 159661516
[2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol
CID 140914799
2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile
CID 135335391
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-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine
CID 135335056
tert-butyl N-[2-[4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenoxy]ethyl]carbamate
CID 140914828
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine
CID 135335495
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 135335286

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-cyclopentylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-cyclopentylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine (CID 135334869) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-cyclopentylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-cyclopentylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-cyclopentylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine is COc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CCCC5)CC4)nc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-cyclopentylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine?
The InChIKey is PUQMBNGJPAXDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O4S/c1-32-20-14-21(33-2)18(24)13-17(20)19-15-28-8-7-22(26-23(28)25-19)27-9-11-29(12-10-27)34(30,31)16-5-3-4-6-16/h7-8,13-16H,3-6,9-12H2,1-2H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-cyclopentylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-cyclopentylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine has a molecular weight of 506.03 g/mol, XLogP of 3.46, 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-cyclopentylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 135334869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).