3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-imidazo[1,2-a]pyridin-2-yl-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one

C82H78ClN19O8S — CID 161091853

About 3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-imidazo[1,2-a]pyridin-2-yl-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one

3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-imidazo[1,2-a]pyridin-2-yl-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one (PubChem CID 161091853) has the molecular formula C82H78ClN19O8S and a molecular weight of 1525.17 g/mol. Its IUPAC name is 3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-imidazo[1,2-a]pyridin-2-yl-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one.

Molecular Properties

• Compound Name: 3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-imidazo[1,2-a]pyridin-2-yl-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one
• PubChem CID: 161091853
• Molecular Formula: C82H78ClN19O8S
• Molecular Weight: 1525.17 g/mol
• Exact Mass: 1523.57
• IUPAC Name: 3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-imidazo[1,2-a]pyridin-2-yl-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one
• SMILES: CN1CCCN(c2ccc3cc(-c4nc5c(Cl)cccc5s4)c(=O)oc3n2)CC1.CN1CCN(c2ccc3cc(-c4cn5ccccc5n4)c(=O)oc3n2)CC1.Cc1ccn2cc(-c3cc4ccc(N5CCN(C)CC5)nc4oc3=O)nc2c1.Cc1ccn2cc(-c3cc4cnc(N5CCNCC5)cc4oc3=O)nc2c1
• InChI: InChI=1S/C21H19ClN4O2S.C21H21N5O2.2C20H19N5O2/c1-25-8-3-9-26(11-10-25)17-7-6-13-12-14(21(27)28-19(13)23-17)20-24-18-15(22)4-2-5-16(18)29-20;1-14-5-6-26-13-17(22-19(26)11-14)16-12-15-3-4-18(23-20(15)28-21(16)27)25-9-7-24(2)8-10-25;1-13-2-5-25-12-16(23-19(25)8-13)15-9-14-11-22-18(10-17(14)27-20(15)26)24-6-3-21-4-7-24;1-23-8-10-24(11-9-23)18-6-5-14-12-15(20(26)27-19(14)22-18)16-13-25-7-3-2-4-17(25)21-16/h2,4-7,12H,3,8-11H2,1H3;3-6,11-13H,7-10H2,1-2H3;2,5,8-12,21H,3-4,6-7H2,1H3;2-7,12-13H,8-11H2,1H3
• InChIKey: UHGYMODVLWBKKP-UHFFFAOYSA-N
• XLogP: 11.30
• TPSA: 271.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 8
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1525.17
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-imidazo[1,2-a]pyridin-2-yl-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one?

The IUPAC name of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-imidazo[1,2-a]pyridin-2-yl-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one (CID 161091853) is 3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-imidazo[1,2-a]pyridin-2-yl-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one.

What is the SMILES notation for 3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-imidazo[1,2-a]pyridin-2-yl-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one?

The canonical SMILES for 3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-imidazo[1,2-a]pyridin-2-yl-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one is CN1CCCN(c2ccc3cc(-c4nc5c(Cl)cccc5s4)c(=O)oc3n2)CC1.CN1CCN(c2ccc3cc(-c4cn5ccccc5n4)c(=O)oc3n2)CC1.Cc1ccn2cc(-c3cc4ccc(N5CCN(C)CC5)nc4oc3=O)nc2c1.Cc1ccn2cc(-c3cc4cnc(N5CCNCC5)cc4oc3=O)nc2c1.

What is the InChIKey of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-imidazo[1,2-a]pyridin-2-yl-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one?

The InChIKey is UHGYMODVLWBKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S.C21H21N5O2.2C20H19N5O2/c1-25-8-3-9-26(11-10-25)17-7-6-13-12-14(21(27)28-19(13)23-17)20-24-18-15(22)4-2-5-16(18)29-20;1-14-5-6-26-13-17(22-19(26)11-14)16-12-15-3-4-18(23-20(15)28-21(16)27)25-9-7-24(2)8-10-25;1-13-2-5-25-12-16(23-19(25)8-13)15-9-14-11-22-18(10-17(14)27-20(15)26)24-6-3-21-4-7-24;1-23-8-10-24(11-9-23)18-6-5-14-12-15(20(26)27-19(14)22-18)16-13-25-7-3-2-4-17(25)21-16/h2,4-7,12H,3,8-11H2,1H3;3-6,11-13H,7-10H2,1-2H3;2,5,8-12,21H,3-4,6-7H2,1H3;2-7,12-13H,8-11H2,1H3.

What are the key properties of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-imidazo[1,2-a]pyridin-2-yl-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one?

3-(4-chloro-1,3-benzothiazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-imidazo[1,2-a]pyridin-2-yl-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one has a molecular weight of 1525.17 g/mol, XLogP of 11.30, 8 rotatable bonds, 1 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-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-imidazo[1,2-a]pyridin-2-yl-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one is sourced from PubChem (CID 161091853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).