3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one

C101H103Cl2N21O12S4 — CID 159176388

IUPAC3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
SMILESCC(C)N1CCN(c2ccc3cc(-c4nc5c(Cl)cccc5s4)c(=O)oc3n2)CC1.CCCN1CCN(c2ccc3cc(-c4nc(C)cs4)c(=O)oc3n2)CC1.CCN1CCN(c2ccc3cc(-c4nc(C)cs4)c(=O)oc3n2)CC1.Cc1ccc2nc(-c3cc4ccc(N5CCNCC5)nc4oc3=O)cn2c1.O=c1oc2nc(N3CCN(CC(O)CO)CC3)ccc2cc1-c1nc2c(Cl)cccc2s1
InChIInChI=1S/C22H21ClN4O4S.C22H21ClN4O2S.C20H19N5O2.C19H22N4O2S.C18H20N4O2S/c23-16-2-1-3-17-19(16)25-21(32-17)15-10-13-4-5-18(24-20(13)31-22(15)30)27-8-6-26(7-9-27)11-14(29)12-28;1-13(2)26-8-10-27(11-9-26)18-7-6-14-12-15(22(28)29-20(14)24-18)21-25-19-16(23)4-3-5-17(19)30-21;1-13-2-4-17-22-16(12-25(17)11-13)15-10-14-3-5-18(23-19(14)27-20(15)26)24-8-6-21-7-9-24;1-3-6-22-7-9-23(10-8-22)16-5-4-14-11-15(18-20-13(2)12-26-18)19(24)25-17(14)21-16;1-3-21-6-8-22(9-7-21)15-5-4-13-10-14(17-19-12(2)11-25-17)18(23)24-16(13)20-15/h1-5,10,14,28-29H,6-9,11-12H2;3-7,12-13H,8-11H2,1-2H3;2-5,10-12,21H,6-9H2,1H3;4-5,11-12H,3,6-10H2,1-2H3;4-5,10-11H,3,6-9H2,1-2H3
InChIKeyKMIHDXGJVBRYLG-UHFFFAOYSA-N
MW2002.24 g/mol
LogP15.38
Rot. Bonds17

About 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one

3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one (PubChem CID 159176388) has the molecular formula C101H103Cl2N21O12S4 and a molecular weight of 2002.24 g/mol. Its IUPAC name is 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
PubChem CID159176388
Molecular FormulaC101H103Cl2N21O12S4
Molecular Weight2002.24 g/mol
Exact Mass1999.64
IUPAC Name3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
SMILESCC(C)N1CCN(c2ccc3cc(-c4nc5c(Cl)cccc5s4)c(=O)oc3n2)CC1.CCCN1CCN(c2ccc3cc(-c4nc(C)cs4)c(=O)oc3n2)CC1.CCN1CCN(c2ccc3cc(-c4nc(C)cs4)c(=O)oc3n2)CC1.Cc1ccc2nc(-c3cc4ccc(N5CCNCC5)nc4oc3=O)cn2c1.O=c1oc2nc(N3CCN(CC(O)CO)CC3)ccc2cc1-c1nc2c(Cl)cccc2s1
InChIInChI=1S/C22H21ClN4O4S.C22H21ClN4O2S.C20H19N5O2.C19H22N4O2S.C18H20N4O2S/c23-16-2-1-3-17-19(16)25-21(32-17)15-10-13-4-5-18(24-20(13)31-22(15)30)27-8-6-26(7-9-27)11-14(29)12-28;1-13(2)26-8-10-27(11-9-26)18-7-6-14-12-15(22(28)29-20(14)24-18)21-25-19-16(23)4-3-5-17(19)30-21;1-13-2-4-17-22-16(12-25(17)11-13)15-10-14-3-5-18(23-19(14)27-20(15)26)24-8-6-21-7-9-24;1-3-6-22-7-9-23(10-8-22)16-5-4-14-11-15(18-20-13(2)12-26-18)19(24)25-17(14)21-16;1-3-21-6-8-22(9-7-21)15-5-4-13-10-14(17-19-12(2)11-25-17)18(23)24-16(13)20-15/h1-5,10,14,28-29H,6-9,11-12H2;3-7,12-13H,8-11H2,1-2H3;2-5,10-12,21H,6-9H2,1H3;4-5,11-12H,3,6-10H2,1-2H3;4-5,10-11H,3,6-9H2,1-2H3
InChIKeyKMIHDXGJVBRYLG-UHFFFAOYSA-N
XLogP15.38
TPSA366.01 Ų
H-Bond Donors3
H-Bond Acceptors37
Rotatable Bonds17
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002002.24
LogP ≤ 515.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1037

Analyze 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one (CID 159176388) is 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one is CC(C)N1CCN(c2ccc3cc(-c4nc5c(Cl)cccc5s4)c(=O)oc3n2)CC1.CCCN1CCN(c2ccc3cc(-c4nc(C)cs4)c(=O)oc3n2)CC1.CCN1CCN(c2ccc3cc(-c4nc(C)cs4)c(=O)oc3n2)CC1.Cc1ccc2nc(-c3cc4ccc(N5CCNCC5)nc4oc3=O)cn2c1.O=c1oc2nc(N3CCN(CC(O)CO)CC3)ccc2cc1-c1nc2c(Cl)cccc2s1.
What is the InChIKey of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is KMIHDXGJVBRYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O4S.C22H21ClN4O2S.C20H19N5O2.C19H22N4O2S.C18H20N4O2S/c23-16-2-1-3-17-19(16)25-21(32-17)15-10-13-4-5-18(24-20(13)31-22(15)30)27-8-6-26(7-9-27)11-14(29)12-28;1-13(2)26-8-10-27(11-9-26)18-7-6-14-12-15(22(28)29-20(14)24-18)21-25-19-16(23)4-3-5-17(19)30-21;1-13-2-4-17-22-16(12-25(17)11-13)15-10-14-3-5-18(23-19(14)27-20(15)26)24-8-6-21-7-9-24;1-3-6-22-7-9-23(10-8-22)16-5-4-14-11-15(18-20-13(2)12-26-18)19(24)25-17(14)21-16;1-3-21-6-8-22(9-7-21)15-5-4-13-10-14(17-19-12(2)11-25-17)18(23)24-16(13)20-15/h1-5,10,14,28-29H,6-9,11-12H2;3-7,12-13H,8-11H2,1-2H3;2-5,10-12,21H,6-9H2,1H3;4-5,11-12H,3,6-10H2,1-2H3;4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 2002.24 g/mol, XLogP of 15.38, 17 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 159176388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).