7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one

C21H20FN5O2 — CID 71730117

IUPAC7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
SMILESC[C@H]1CN(C)CCN1c1ccc2cc(-c3cn4cccc(F)c4n3)c(=O)oc2n1
InChIInChI=1S/C21H20FN5O2/c1-13-11-25(2)8-9-27(13)18-6-5-14-10-15(21(28)29-20(14)24-18)17-12-26-7-3-4-16(22)19(26)23-17/h3-7,10,12-13H,8-9,11H2,1-2H3/t13-/m0/s1
InChIKeyYMRMCXXOOSTWGL-ZDUSSCGKSA-N
MW393.42 g/mol
LogP2.78
Rot. Bonds2

About 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one

7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one (PubChem CID 71730117) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
PubChem CID71730117
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
SMILESC[C@H]1CN(C)CCN1c1ccc2cc(-c3cn4cccc(F)c4n3)c(=O)oc2n1
InChIInChI=1S/C21H20FN5O2/c1-13-11-25(2)8-9-27(13)18-6-5-14-10-15(21(28)29-20(14)24-18)17-12-26-7-3-4-16(22)19(26)23-17/h3-7,10,12-13H,8-9,11H2,1-2H3/t13-/m0/s1
InChIKeyYMRMCXXOOSTWGL-ZDUSSCGKSA-N
XLogP2.78
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one (CID 71730117) is 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one is C[C@H]1CN(C)CCN1c1ccc2cc(-c3cn4cccc(F)c4n3)c(=O)oc2n1.
What is the InChIKey of 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is YMRMCXXOOSTWGL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-13-11-25(2)8-9-27(13)18-6-5-14-10-15(21(28)29-20(14)24-18)17-12-26-7-3-4-16(22)19(26)23-17/h3-7,10,12-13H,8-9,11H2,1-2H3/t13-/m0/s1.
What are the key properties of 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 393.42 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 71730117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).