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

C21H20ClN5O2 — CID 71730644

IUPAC3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
SMILESC[C@@H]1CN[C@@H](C)CN1c1ccc2cc(-c3cn4cccc(Cl)c4n3)c(=O)oc2n1
InChIInChI=1S/C21H20ClN5O2/c1-12-10-27(13(2)9-23-12)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/t12-,13+/m0/s1
InChIKeyBCBJLTTVGXGMKN-QWHCGFSZSA-N
MW409.88 g/mol
LogP3.34
Rot. Bonds2

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

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one (PubChem CID 71730644) 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-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
PubChem CID71730644
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
SMILESC[C@@H]1CN[C@@H](C)CN1c1ccc2cc(-c3cn4cccc(Cl)c4n3)c(=O)oc2n1
InChIInChI=1S/C21H20ClN5O2/c1-12-10-27(13(2)9-23-12)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/t12-,13+/m0/s1
InChIKeyBCBJLTTVGXGMKN-QWHCGFSZSA-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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Frequently Asked Questions

What is the IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one (CID 71730644) is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-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-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one is C[C@@H]1CN[C@@H](C)CN1c1ccc2cc(-c3cn4cccc(Cl)c4n3)c(=O)oc2n1.
What is the InChIKey of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one?
The InChIKey is BCBJLTTVGXGMKN-QWHCGFSZSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-12-10-27(13(2)9-23-12)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/t12-,13+/m0/s1.
What are the key properties of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one?
3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-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-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 71730644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).