3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one

C21H20ClN5O2 — CID 78161777

IUPAC3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
SMILESCC1CN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3n2)CC(C)N1
InChIInChI=1S/C21H20ClN5O2/c1-12-9-27(10-13(2)23-12)18-6-5-14-8-15(21(28)29-20(14)25-18)17-11-26-7-3-4-16(22)19(26)24-17/h3-8,11-13,23H,9-10H2,1-2H3
InChIKeyOLFZQCXJABDFBW-UHFFFAOYSA-N
MW409.88 g/mol
LogP3.34
Rot. Bonds2

About 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one (PubChem CID 78161777) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
PubChem CID78161777
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
SMILESCC1CN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3n2)CC(C)N1
InChIInChI=1S/C21H20ClN5O2/c1-12-9-27(10-13(2)23-12)18-6-5-14-8-15(21(28)29-20(14)25-18)17-11-26-7-3-4-16(22)19(26)24-17/h3-8,11-13,23H,9-10H2,1-2H3
InChIKeyOLFZQCXJABDFBW-UHFFFAOYSA-N
XLogP3.34
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(S)-3-(6,8-Dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3-methylpiperazin-1-yl)-2H-chromen-2-one
CID 89655253
3-(Imidazo[1,2-a]pyridin-2-yl)-7-(piperazin-1-yl)-2H-chromen-2-one
CID 71622408
3-(6-Methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
CID 71622687
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one
CID 89654975
3-(6-Methylimidazo[1,2-a]pyrazin-2-yl)-7-(piperazin-1-yl)-2h-chromen-2-one
CID 89655987
3-(8-Ethyl-6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one
CID 89656968
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-propan-2-ylpiperazin-1-yl]chromen-2-one
CID 89657290
3-(6,8-Dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(piperazin-1-yl)-2h-chromen-2-one
CID 89657336
2-Ethoxy-3-pyridinecarboxylic acid (6-chloro-2-imidazo[1,2-a]pyridinyl)methyl ester
CID 2998538
3-(6-Ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
CID 155548937
6-Chloro-3-imidazo[1,2-a]pyridin-2-yl-2h-chromen-2-one
CID 395976
3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one
CID 395977

Frequently Asked Questions

What is the IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one (CID 78161777) is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one is CC1CN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3n2)CC(C)N1.
What is the InChIKey of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is OLFZQCXJABDFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-12-9-27(10-13(2)23-12)18-6-5-14-8-15(21(28)29-20(14)25-18)17-11-26-7-3-4-16(22)19(26)24-17/h3-8,11-13,23H,9-10H2,1-2H3.
What are the key properties of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 409.88 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 78161777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).