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

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

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Related Compounds

7-Piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one
CID 71731151
7-Piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one;hydrochloride
CID 89783218
5-(1,3-benzothiazol-2-yl)-2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one
CID 136983820
Hypochlorous acid;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one
CID 146191237
3-(4-(6-fluorobenzo[d]thiazol-2-yl)piperazine-1-carbonyl)-2H-chromen-2-one
CID 7539135
3-(4-(benzo[d]thiazol-2-yl)piperazine-1-carbonyl)-2H-chromen-2-one
CID 4054517
3-(1,3-Benzothiazol-2-yl)-7-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]chromen-2-one
CID 59685525
[2-[6-(4-Methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl] acetate
CID 67276495
2-[4-[2-[4-(6-Methyl-2-pyridinyl)piperazin-1-yl]ethyl]phenoxy]-1,3-benzothiazole
CID 67302825
3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
CID 71730246
3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
CID 71730247
3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
CID 71730514

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).