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

C25H23ClN6O2 — CID 135281208

IUPAC2-[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(c5ncccc5C#N)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H23ClN6O2/c1-33-22-14-23(34-2)20(26)13-19(22)21-16-32-7-5-18(12-24(32)29-21)30-8-10-31(11-9-30)25-17(15-27)4-3-6-28-25/h3-7,12-14,16H,8-11H2,1-2H3
InChIKeyMQRJSIHLIRMALL-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.27
Rot. Bonds5

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

2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 135281208) has the molecular formula C25H23ClN6O2 and a molecular weight of 474.95 g/mol. Its IUPAC name is 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID135281208
Molecular FormulaC25H23ClN6O2
Molecular Weight474.95 g/mol
Exact Mass474.16
IUPAC Name2-[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(c5ncccc5C#N)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H23ClN6O2/c1-33-22-14-23(34-2)20(26)13-19(22)21-16-32-7-5-18(12-24(32)29-21)30-8-10-31(11-9-30)25-17(15-27)4-3-6-28-25/h3-7,12-14,16H,8-11H2,1-2H3
InChIKeyMQRJSIHLIRMALL-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile (CID 135281208) is 2-[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 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[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(c5ncccc5C#N)CC4)cc3n2)cc1Cl.
What is the InChIKey of 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is MQRJSIHLIRMALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O2/c1-33-22-14-23(34-2)20(26)13-19(22)21-16-32-7-5-18(12-24(32)29-21)30-8-10-31(11-9-30)25-17(15-27)4-3-6-28-25/h3-7,12-14,16H,8-11H2,1-2H3.
What are the key properties of 2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[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 2-[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 135281208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).