2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine

C25H25ClN4O2 — CID 159661516

IUPAC2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine
SMILESCOc1cc(OCc2ccccc2)c(-c2cn3ccc(N4CCCCC4)nc3n2)cc1Cl
InChIInChI=1S/C25H25ClN4O2/c1-31-23-15-22(32-17-18-8-4-2-5-9-18)19(14-20(23)26)21-16-30-13-10-24(28-25(30)27-21)29-11-6-3-7-12-29/h2,4-5,8-10,13-16H,3,6-7,11-12,17H2,1H3
InChIKeyBSEWDCLVHNTOBD-UHFFFAOYSA-N
MW448.95 g/mol
LogP5.63
Rot. Bonds6

About 2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine

2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine (PubChem CID 159661516) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine
PubChem CID159661516
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine
SMILESCOc1cc(OCc2ccccc2)c(-c2cn3ccc(N4CCCCC4)nc3n2)cc1Cl
InChIInChI=1S/C25H25ClN4O2/c1-31-23-15-22(32-17-18-8-4-2-5-9-18)19(14-20(23)26)21-16-30-13-10-24(28-25(30)27-21)29-11-6-3-7-12-29/h2,4-5,8-10,13-16H,3,6-7,11-12,17H2,1H3
InChIKeyBSEWDCLVHNTOBD-UHFFFAOYSA-N
XLogP5.63
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride
CID 135335613
2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile
CID 135335391
[2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol
CID 140914799
2-(5-chloro-2,4-dimethoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-c]pyrimidine
CID 135281288
[2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol
CID 140914464
[4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-5-methoxyphenyl]methanol
CID 140914558
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-2,4-dimethoxyphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 135281250
2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-amine
CID 168901558
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-piperazin-1-ylethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 135335453
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine (CID 159661516) is 2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine is COc1cc(OCc2ccccc2)c(-c2cn3ccc(N4CCCCC4)nc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine?
The InChIKey is BSEWDCLVHNTOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c1-31-23-15-22(32-17-18-8-4-2-5-9-18)19(14-20(23)26)21-16-30-13-10-24(28-25(30)27-21)29-11-6-3-7-12-29/h2,4-5,8-10,13-16H,3,6-7,11-12,17H2,1H3.
What are the key properties of 2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine?
2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine has a molecular weight of 448.95 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 159661516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).