4-[7-(3-aminopyrrolidin-1-yl)-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile

C26H24ClN5O2 — CID 135335297

IUPAC4-[7-(3-aminopyrrolidin-1-yl)-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile
SMILESCOc1cc(OC)c(-c2cn3cc(-c4ccc(C#N)cc4)c(N4CCC(N)C4)cc3n2)cc1Cl
InChIInChI=1S/C26H24ClN5O2/c1-33-24-11-25(34-2)21(27)9-19(24)22-15-32-14-20(17-5-3-16(12-28)4-6-17)23(10-26(32)30-22)31-8-7-18(29)13-31/h3-6,9-11,14-15,18H,7-8,13,29H2,1-2H3
InChIKeyIHNFSDGIWDWWNW-UHFFFAOYSA-N
MW473.96 g/mol
LogP4.75
Rot. Bonds5

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

4-[7-(3-aminopyrrolidin-1-yl)-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile (PubChem CID 135335297) has the molecular formula C26H24ClN5O2 and a molecular weight of 473.96 g/mol. Its IUPAC name is 4-[7-(3-aminopyrrolidin-1-yl)-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-(3-aminopyrrolidin-1-yl)-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile
PubChem CID135335297
Molecular FormulaC26H24ClN5O2
Molecular Weight473.96 g/mol
Exact Mass473.16
IUPAC Name4-[7-(3-aminopyrrolidin-1-yl)-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile
SMILESCOc1cc(OC)c(-c2cn3cc(-c4ccc(C#N)cc4)c(N4CCC(N)C4)cc3n2)cc1Cl
InChIInChI=1S/C26H24ClN5O2/c1-33-24-11-25(34-2)21(27)9-19(24)22-15-32-14-20(17-5-3-16(12-28)4-6-17)23(10-26(32)30-22)31-8-7-18(29)13-31/h3-6,9-11,14-15,18H,7-8,13,29H2,1-2H3
InChIKeyIHNFSDGIWDWWNW-UHFFFAOYSA-N
XLogP4.75
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(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
6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 135281259
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
6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 135335358
ethyl 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-4-carboxylate
CID 135281370
2-(5-chloro-2,4-dimethoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-c]pyrimidine
CID 135281288
2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-amine;hydrochloride
CID 135335467
2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-7-amine
CID 135335466
2-(5-chloro-2,4-dimethoxyphenyl)-6-iodoimidazo[1,2-a]pyridine
CID 135281243
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 4-[7-(3-aminopyrrolidin-1-yl)-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[7-(3-aminopyrrolidin-1-yl)-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile (CID 135335297) is 4-[7-(3-aminopyrrolidin-1-yl)-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[7-(3-aminopyrrolidin-1-yl)-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[7-(3-aminopyrrolidin-1-yl)-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile is COc1cc(OC)c(-c2cn3cc(-c4ccc(C#N)cc4)c(N4CCC(N)C4)cc3n2)cc1Cl.
What is the InChIKey of 4-[7-(3-aminopyrrolidin-1-yl)-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile?
The InChIKey is IHNFSDGIWDWWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2/c1-33-24-11-25(34-2)21(27)9-19(24)22-15-32-14-20(17-5-3-16(12-28)4-6-17)23(10-26(32)30-22)31-8-7-18(29)13-31/h3-6,9-11,14-15,18H,7-8,13,29H2,1-2H3.
What are the key properties of 4-[7-(3-aminopyrrolidin-1-yl)-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile?
4-[7-(3-aminopyrrolidin-1-yl)-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile has a molecular weight of 473.96 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-aminopyrrolidin-1-yl)-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 135335297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).