3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one

C97H93F3N20O10S5 — CID 158710260

IUPAC3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one
SMILESCC(C)N1CCN(c2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3n2)CC1.CCCN1CCN(c2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3n2)CC1.CCN1CCN(c2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3n2)CC1.Cc1csc(-c2cc3ccc(N4CCNCC4)nc3oc2=O)n1.O=c1oc2nc(N3CCNCC3)ccc2cc1-c1nc(C(F)(F)F)cs1
InChIInChI=1S/2C22H22N4O2S.C21H20N4O2S.C16H13F3N4O2S.C16H16N4O2S/c1-14(2)25-9-11-26(12-10-25)19-8-7-15-13-16(22(27)28-20(15)24-19)21-23-17-5-3-4-6-18(17)29-21;1-2-9-25-10-12-26(13-11-25)19-8-7-15-14-16(22(27)28-20(15)24-19)21-23-17-5-3-4-6-18(17)29-21;1-2-24-9-11-25(12-10-24)18-8-7-14-13-15(21(26)27-19(14)23-18)20-22-16-5-3-4-6-17(16)28-20;17-16(18,19)11-8-26-14(21-11)10-7-9-1-2-12(22-13(9)25-15(10)24)23-5-3-20-4-6-23;1-10-9-23-15(18-10)12-8-11-2-3-13(19-14(11)22-16(12)21)20-6-4-17-5-7-20/h3-8,13-14H,9-12H2,1-2H3;3-8,14H,2,9-13H2,1H3;3-8,13H,2,9-12H2,1H3;1-2,7-8,20H,3-6H2;2-3,8-9,17H,4-7H2,1H3
InChIKeyIIPXBYOGYKWCAV-UHFFFAOYSA-N
MW1916.27 g/mol
LogP16.37
Rot. Bonds14

About 3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one

3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one (PubChem CID 158710260) has the molecular formula C97H93F3N20O10S5 and a molecular weight of 1916.27 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one
PubChem CID158710260
Molecular FormulaC97H93F3N20O10S5
Molecular Weight1916.27 g/mol
Exact Mass1914.59
IUPAC Name3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one
SMILESCC(C)N1CCN(c2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3n2)CC1.CCCN1CCN(c2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3n2)CC1.CCN1CCN(c2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3n2)CC1.Cc1csc(-c2cc3ccc(N4CCNCC4)nc3oc2=O)n1.O=c1oc2nc(N3CCNCC3)ccc2cc1-c1nc(C(F)(F)F)cs1
InChIInChI=1S/2C22H22N4O2S.C21H20N4O2S.C16H13F3N4O2S.C16H16N4O2S/c1-14(2)25-9-11-26(12-10-25)19-8-7-15-13-16(22(27)28-20(15)24-19)21-23-17-5-3-4-6-18(17)29-21;1-2-9-25-10-12-26(13-11-25)19-8-7-15-14-16(22(27)28-20(15)24-19)21-23-17-5-3-4-6-18(17)29-21;1-2-24-9-11-25(12-10-24)18-8-7-14-13-15(21(26)27-19(14)23-18)20-22-16-5-3-4-6-17(16)28-20;17-16(18,19)11-8-26-14(21-11)10-7-9-1-2-12(22-13(9)25-15(10)24)23-5-3-20-4-6-23;1-10-9-23-15(18-10)12-8-11-2-3-13(19-14(11)22-16(12)21)20-6-4-17-5-7-20/h3-8,13-14H,9-12H2,1-2H3;3-8,14H,2,9-13H2,1H3;3-8,13H,2,9-12H2,1H3;1-2,7-8,20H,3-6H2;2-3,8-9,17H,4-7H2,1H3
InChIKeyIIPXBYOGYKWCAV-UHFFFAOYSA-N
XLogP16.37
TPSA329.93 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds14
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001916.27
LogP ≤ 516.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Analyze 3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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;3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one
CID 89783304
tert-butyl (2R,6S)-4-[3-(4-chloro-1,3-benzothiazol-2-yl)-2-oxopyrano[2,3-b]pyridin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-(5-formyl-6-oxo-1H-pyridin-2-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one;1-(4-chloro-1,3-benzothiazol-2-yl)propan-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one;6-chloro-2-oxo-1H-pyridine-3-carbaldehyde;deuterio(fluoro)methane;(2S,6R)-2,6-dimethylpiperazine;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-oxo-1H-pyridine-3-carbaldehyde;hydrochloride
CID 160072220
3-(1,3-Benzothiazol-2-yl)-7-[4-(2-chloroethyl)piperazin-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;3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one
CID 161101645

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one (CID 158710260) is 3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one is CC(C)N1CCN(c2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3n2)CC1.CCCN1CCN(c2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3n2)CC1.CCN1CCN(c2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3n2)CC1.Cc1csc(-c2cc3ccc(N4CCNCC4)nc3oc2=O)n1.O=c1oc2nc(N3CCNCC3)ccc2cc1-c1nc(C(F)(F)F)cs1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one?
The InChIKey is IIPXBYOGYKWCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22N4O2S.C21H20N4O2S.C16H13F3N4O2S.C16H16N4O2S/c1-14(2)25-9-11-26(12-10-25)19-8-7-15-13-16(22(27)28-20(15)24-19)21-23-17-5-3-4-6-18(17)29-21;1-2-9-25-10-12-26(13-11-25)19-8-7-15-14-16(22(27)28-20(15)24-19)21-23-17-5-3-4-6-18(17)29-21;1-2-24-9-11-25(12-10-24)18-8-7-14-13-15(21(26)27-19(14)23-18)20-22-16-5-3-4-6-17(16)28-20;17-16(18,19)11-8-26-14(21-11)10-7-9-1-2-12(22-13(9)25-15(10)24)23-5-3-20-4-6-23;1-10-9-23-15(18-10)12-8-11-2-3-13(19-14(11)22-16(12)21)20-6-4-17-5-7-20/h3-8,13-14H,9-12H2,1-2H3;3-8,14H,2,9-13H2,1H3;3-8,13H,2,9-12H2,1H3;1-2,7-8,20H,3-6H2;2-3,8-9,17H,4-7H2,1H3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one?
3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one has a molecular weight of 1916.27 g/mol, XLogP of 16.37, 14 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 158710260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).