6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile

C25H23ClN6O2 — CID 135281259

IUPAC6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccc(C#N)cn5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H23ClN6O2/c1-33-22-13-23(34-2)20(26)12-19(22)21-16-32-6-5-18(11-25(32)29-21)30-7-9-31(10-8-30)24-4-3-17(14-27)15-28-24/h3-6,11-13,15-16H,7-10H2,1-2H3
InChIKeyFVRUBTFEDSQTKH-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.27
Rot. Bonds5

About 6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 135281259) has the molecular formula C25H23ClN6O2 and a molecular weight of 474.95 g/mol. Its IUPAC name is 6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID135281259
Molecular FormulaC25H23ClN6O2
Molecular Weight474.95 g/mol
Exact Mass474.16
IUPAC Name6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccc(C#N)cn5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H23ClN6O2/c1-33-22-13-23(34-2)20(26)12-19(22)21-16-32-6-5-18(11-25(32)29-21)30-7-9-31(10-8-30)24-4-3-17(14-27)15-28-24/h3-6,11-13,15-16H,7-10H2,1-2H3
InChIKeyFVRUBTFEDSQTKH-UHFFFAOYSA-N
XLogP4.27
TPSA78.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-piperazin-1-ylimidazo[1,2-a]pyridine
CID 135281250
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 135281275
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
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-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
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine
CID 135335056
2-(5-chloro-2,4-dimethoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-c]pyrimidine
CID 135281288
4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine
CID 154699429
3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine
CID 161118286

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile (CID 135281259) is 6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile is COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccc(C#N)cn5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is FVRUBTFEDSQTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O2/c1-33-22-13-23(34-2)20(26)12-19(22)21-16-32-6-5-18(11-25(32)29-21)30-7-9-31(10-8-30)24-4-3-17(14-27)15-28-24/h3-6,11-13,15-16H,7-10H2,1-2H3.
What are the key properties of 6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 474.95 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 135281259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).