3-(1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one

C20H18N4O2S — CID 71730894

IUPAC3-(1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
SMILESCN1CCN(c2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3n2)CC1
InChIInChI=1S/C20H18N4O2S/c1-23-8-10-24(11-9-23)17-7-6-13-12-14(20(25)26-18(13)22-17)19-21-15-4-2-3-5-16(15)27-19/h2-7,12H,8-11H2,1H3
InChIKeyWQOHETICJCDXLH-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.22
Rot. Bonds2

About 3-(1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one

3-(1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one (PubChem CID 71730894) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
PubChem CID71730894
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name3-(1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
SMILESCN1CCN(c2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3n2)CC1
InChIInChI=1S/C20H18N4O2S/c1-23-8-10-24(11-9-23)17-7-6-13-12-14(20(25)26-18(13)22-17)19-21-15-4-2-3-5-16(15)27-19/h2-7,12H,8-11H2,1H3
InChIKeyWQOHETICJCDXLH-UHFFFAOYSA-N
XLogP3.22
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one (CID 71730894) is 3-(1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one is CN1CCN(c2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3n2)CC1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is WQOHETICJCDXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-23-8-10-24(11-9-23)17-7-6-13-12-14(20(25)26-18(13)22-17)19-21-15-4-2-3-5-16(15)27-19/h2-7,12H,8-11H2,1H3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
3-(1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 378.46 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 71730894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).