3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one

C21H20ClN5O2 — CID 71731786

IUPAC3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one
SMILESCN1CCCN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3n2)CC1
InChIInChI=1S/C21H20ClN5O2/c1-25-7-3-9-26(11-10-25)18-6-5-14-12-15(21(28)29-20(14)24-18)17-13-27-8-2-4-16(22)19(27)23-17/h2,4-6,8,12-13H,3,7,9-11H2,1H3
InChIKeyOCSODONEUQPUNY-UHFFFAOYSA-N
MW409.88 g/mol
LogP3.30
Rot. Bonds2

About 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one (PubChem CID 71731786) 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-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one
PubChem CID71731786
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one
SMILESCN1CCCN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3n2)CC1
InChIInChI=1S/C21H20ClN5O2/c1-25-7-3-9-26(11-10-25)18-6-5-14-12-15(21(28)29-20(14)24-18)17-13-27-8-2-4-16(22)19(27)23-17/h2,4-6,8,12-13H,3,7,9-11H2,1H3
InChIKeyOCSODONEUQPUNY-UHFFFAOYSA-N
XLogP3.30
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one (CID 71731786) is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-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-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one is CN1CCCN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3n2)CC1.
What is the InChIKey of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is OCSODONEUQPUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-25-7-3-9-26(11-10-25)18-6-5-14-12-15(21(28)29-20(14)24-18)17-13-27-8-2-4-16(22)19(27)23-17/h2,4-6,8,12-13H,3,7,9-11H2,1H3.
What are the key properties of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one?
3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 409.88 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 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-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 71731786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).