3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one

C85H81Cl2FN18O8S2 — CID 160863616

IUPAC3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
SMILESC[C@@H]1CN(c2ccc3cc(-c4nc5c(Cl)cccc5s4)c(=O)oc3n2)C[C@H](C)N1.C[C@@H]1CN(c2ccc3cc(-c4nc5c(Cl)cccc5s4)c(=O)oc3n2)C[C@H](C)N1C.C[C@H]1CN(c2ccc3cc(-c4cn5cccc(F)c5n4)c(=O)oc3n2)CCN1C.Cc1ccc2nc(-c3cc4ccc(N5CCN[C@@H](C)C5)nc4oc3=O)cn2c1
InChIInChI=1S/C22H21ClN4O2S.C21H19ClN4O2S.C21H20FN5O2.C21H21N5O2/c1-12-10-27(11-13(2)26(12)3)18-8-7-14-9-15(22(28)29-20(14)24-18)21-25-19-16(23)5-4-6-17(19)30-21;1-11-9-26(10-12(2)23-11)17-7-6-13-8-14(21(27)28-19(13)24-17)20-25-18-15(22)4-3-5-16(18)29-20;1-13-11-26(9-8-25(13)2)18-6-5-14-10-15(21(28)29-20(14)24-18)17-12-27-7-3-4-16(22)19(27)23-17;1-13-3-5-18-23-17(12-26(18)10-13)16-9-15-4-6-19(24-20(15)28-21(16)27)25-8-7-22-14(2)11-25/h4-9,12-13H,10-11H2,1-3H3;3-8,11-12,23H,9-10H2,1-2H3;3-7,10,12-13H,8-9,11H2,1-2H3;3-6,9-10,12,14,22H,7-8,11H2,1-2H3/t12-,13+;11-,12+;13-;14-/m..00/s1
InChIKeySKUUVDUKJKQXBZ-RAFASYBOSA-N
MW1636.74 g/mol
LogP14.34
Rot. Bonds8

About 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one

3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one (PubChem CID 160863616) has the molecular formula C85H81Cl2FN18O8S2 and a molecular weight of 1636.74 g/mol. Its IUPAC name is 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
PubChem CID160863616
Molecular FormulaC85H81Cl2FN18O8S2
Molecular Weight1636.74 g/mol
Exact Mass1634.53
IUPAC Name3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
SMILESC[C@@H]1CN(c2ccc3cc(-c4nc5c(Cl)cccc5s4)c(=O)oc3n2)C[C@H](C)N1.C[C@@H]1CN(c2ccc3cc(-c4nc5c(Cl)cccc5s4)c(=O)oc3n2)C[C@H](C)N1C.C[C@H]1CN(c2ccc3cc(-c4cn5cccc(F)c5n4)c(=O)oc3n2)CCN1C.Cc1ccc2nc(-c3cc4ccc(N5CCN[C@@H](C)C5)nc4oc3=O)cn2c1
InChIInChI=1S/C22H21ClN4O2S.C21H19ClN4O2S.C21H20FN5O2.C21H21N5O2/c1-12-10-27(11-13(2)26(12)3)18-8-7-14-9-15(22(28)29-20(14)24-18)21-25-19-16(23)5-4-6-17(19)30-21;1-11-9-26(10-12(2)23-11)17-7-6-13-8-14(21(27)28-19(13)24-17)20-25-18-15(22)4-3-5-16(18)29-20;1-13-11-26(9-8-25(13)2)18-6-5-14-10-15(21(28)29-20(14)24-18)17-12-27-7-3-4-16(22)19(27)23-17;1-13-3-5-18-23-17(12-26(18)10-13)16-9-15-4-6-19(24-20(15)28-21(16)27)25-8-7-22-14(2)11-25/h4-9,12-13H,10-11H2,1-3H3;3-8,11-12,23H,9-10H2,1-2H3;3-7,10,12-13H,8-9,11H2,1-2H3;3-6,9-10,12,14,22H,7-8,11H2,1-2H3/t12-,13+;11-,12+;13-;14-/m..00/s1
InChIKeySKUUVDUKJKQXBZ-RAFASYBOSA-N
XLogP14.34
TPSA276.28 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds8
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001636.74
LogP ≤ 514.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-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-(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
7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one
CID 71730377
3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
CID 71730643
hypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one
CID 146191096
3-(4-chloro-1,3-benzothiazol-2-yl)-7-(3,5-dimethylpiperazin-1-yl)chromen-2-one
CID 78137032
7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 123206233
7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 123862457
7-(2,4-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
CID 78161663
7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
CID 71730113
3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
CID 71732059
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;7-(4-ethyl-1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one;7-(4-ethyl-1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylpyrano[2,3-b]pyridin-2-one;7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
CID 162053369
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 71621549

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one (CID 160863616) is 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one is C[C@@H]1CN(c2ccc3cc(-c4nc5c(Cl)cccc5s4)c(=O)oc3n2)C[C@H](C)N1.C[C@@H]1CN(c2ccc3cc(-c4nc5c(Cl)cccc5s4)c(=O)oc3n2)C[C@H](C)N1C.C[C@H]1CN(c2ccc3cc(-c4cn5cccc(F)c5n4)c(=O)oc3n2)CCN1C.Cc1ccc2nc(-c3cc4ccc(N5CCN[C@@H](C)C5)nc4oc3=O)cn2c1.
What is the InChIKey of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one?
The InChIKey is SKUUVDUKJKQXBZ-RAFASYBOSA-N. The full InChI is InChI=1S/C22H21ClN4O2S.C21H19ClN4O2S.C21H20FN5O2.C21H21N5O2/c1-12-10-27(11-13(2)26(12)3)18-8-7-14-9-15(22(28)29-20(14)24-18)21-25-19-16(23)5-4-6-17(19)30-21;1-11-9-26(10-12(2)23-11)17-7-6-13-8-14(21(27)28-19(13)24-17)20-25-18-15(22)4-3-5-16(18)29-20;1-13-11-26(9-8-25(13)2)18-6-5-14-10-15(21(28)29-20(14)24-18)17-12-27-7-3-4-16(22)19(27)23-17;1-13-3-5-18-23-17(12-26(18)10-13)16-9-15-4-6-19(24-20(15)28-21(16)27)25-8-7-22-14(2)11-25/h4-9,12-13H,10-11H2,1-3H3;3-8,11-12,23H,9-10H2,1-2H3;3-7,10,12-13H,8-9,11H2,1-2H3;3-6,9-10,12,14,22H,7-8,11H2,1-2H3/t12-,13+;11-,12+;13-;14-/m..00/s1.
What are the key properties of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one?
3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one has a molecular weight of 1636.74 g/mol, XLogP of 14.34, 8 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-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;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 160863616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).