3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one

C19H15ClN4O2S — CID 71730893

IUPAC3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one
SMILESO=c1oc2nc(N3CCNCC3)ccc2cc1-c1nc2c(Cl)cccc2s1
InChIInChI=1S/C19H15ClN4O2S/c20-13-2-1-3-14-16(13)23-18(27-14)12-10-11-4-5-15(22-17(11)26-19(12)25)24-8-6-21-7-9-24/h1-5,10,21H,6-9H2
InChIKeyGEMKKRVPDZRBCJ-UHFFFAOYSA-N
MW398.88 g/mol
LogP3.53
Rot. Bonds2

About 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one

3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one (PubChem CID 71730893) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one
PubChem CID71730893
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC Name3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one
SMILESO=c1oc2nc(N3CCNCC3)ccc2cc1-c1nc2c(Cl)cccc2s1
InChIInChI=1S/C19H15ClN4O2S/c20-13-2-1-3-14-16(13)23-18(27-14)12-10-11-4-5-15(22-17(11)26-19(12)25)24-8-6-21-7-9-24/h1-5,10,21H,6-9H2
InChIKeyGEMKKRVPDZRBCJ-UHFFFAOYSA-N
XLogP3.53
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

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
3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
CID 71730515
3-(1,3-Benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one
CID 71730892
3-(1,3-Benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
CID 71730894
3-(1,3-Benzothiazol-2-yl)-7-[4-(2-chloroethyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one
CID 71730895
3-(4-chlorobenzo[d]thiazol-2-yl)-7-(4-methylpiperazin-1-yl)-2H-pyrano[2,3-b]pyridin-2-one
CID 71730896
3-(4-Chloro-1,3-benzothiazol-2-yl)-7-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]pyrano[2,3-b]pyridin-2-one
CID 71730897
t-butyl 4-(3-(4-chlorobenzo[d]thiazol-2-yl)-2-oxo-2H-pyrano[3,2-c]pyridin-7-yl)piperazine-1-carboxylate
CID 71731023
3-(4-Chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one
CID 71731024
3-(4-Chloro-1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
CID 71731025

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one (CID 71730893) is 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one is O=c1oc2nc(N3CCNCC3)ccc2cc1-c1nc2c(Cl)cccc2s1.
What is the InChIKey of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one?
The InChIKey is GEMKKRVPDZRBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c20-13-2-1-3-14-16(13)23-18(27-14)12-10-11-4-5-15(22-17(11)26-19(12)25)24-8-6-21-7-9-24/h1-5,10,21H,6-9H2.
What are the key properties of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one?
3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one has a molecular weight of 398.88 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 71730893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).