2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine

C28H33ClN8O2 — CID 135334922

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N6CCNC(C)C6)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C28H33ClN8O2/c1-19-17-37(9-7-30-19)28-31-6-4-26(33-28)35-12-10-34(11-13-35)20-5-8-36-18-23(32-27(36)14-20)21-15-22(29)25(39-3)16-24(21)38-2/h4-6,8,14-16,18-19,30H,7,9-13,17H2,1-3H3
InChIKeyKAFPPPKYNFSWQQ-UHFFFAOYSA-N
MW549.08 g/mol
LogP3.59
Rot. Bonds6

About 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine

2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine (PubChem CID 135334922) has the molecular formula C28H33ClN8O2 and a molecular weight of 549.08 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine
PubChem CID135334922
Molecular FormulaC28H33ClN8O2
Molecular Weight549.08 g/mol
Exact Mass548.24
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N6CCNC(C)C6)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C28H33ClN8O2/c1-19-17-37(9-7-30-19)28-31-6-4-26(33-28)35-12-10-34(11-13-35)20-5-8-36-18-23(32-27(36)14-20)21-15-22(29)25(39-3)16-24(21)38-2/h4-6,8,14-16,18-19,30H,7,9-13,17H2,1-3H3
InChIKeyKAFPPPKYNFSWQQ-UHFFFAOYSA-N
XLogP3.59
TPSA83.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.08
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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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-piperazin-1-ylimidazo[1,2-a]pyridine
CID 135281250
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
6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 135281259
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-piperazin-1-ylethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 135335453
1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine
CID 135281269
1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperidin-4-amine
CID 135335326
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
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-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine
CID 135335495

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 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) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine is COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N6CCNC(C)C6)n5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine?
The InChIKey is KAFPPPKYNFSWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN8O2/c1-19-17-37(9-7-30-19)28-31-6-4-26(33-28)35-12-10-34(11-13-35)20-5-8-36-18-23(32-27(36)14-20)21-15-22(29)25(39-3)16-24(21)38-2/h4-6,8,14-16,18-19,30H,7,9-13,17H2,1-3H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine has a molecular weight of 549.08 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[2-(3-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 135334922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).