3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(2-cyclopropylpyrimidin-4-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(2-methylpyrimidin-4-yl)chromen-2-one

C103H105ClFN19O10S — CID 159015706

About 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(2-cyclopropylpyrimidin-4-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(2-methylpyrimidin-4-yl)chromen-2-one

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(2-cyclopropylpyrimidin-4-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(2-methylpyrimidin-4-yl)chromen-2-one (PubChem CID 159015706) has the molecular formula C103H105ClFN19O10S and a molecular weight of 1855.61 g/mol. Its IUPAC name is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(2-cyclopropylpyrimidin-4-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(2-methylpyrimidin-4-yl)chromen-2-one.

Molecular Properties

• Compound Name: 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(2-cyclopropylpyrimidin-4-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(2-methylpyrimidin-4-yl)chromen-2-one
• PubChem CID: 159015706
• Molecular Formula: C103H105ClFN19O10S
• Molecular Weight: 1855.61 g/mol
• Exact Mass: 1853.77
• IUPAC Name: 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(2-cyclopropylpyrimidin-4-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(2-methylpyrimidin-4-yl)chromen-2-one
• SMILES: CN1CCCN(c2ccc3cc(-c4cn5cccc(F)c5n4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4ccnc(C5CC5)n4)c(=O)oc3c2)CC1.C[C@@H]1CN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)CCN1C.Cc1csc(-c2cc3ccc(N4C[C@@H](C)NC[C@@H]4C)cc3oc2=O)n1.Cc1nccc(-c2cc3ccc(N4CCN(C)CC4)cc3oc2=O)n1
• InChI: InChI=1S/C22H21ClN4O2.C22H21FN4O2.C21H22N4O2.C19H20N4O2.C19H21N3O2S/c1-14-12-26(9-8-25(14)2)16-6-5-15-10-17(22(28)29-20(15)11-16)19-13-27-7-3-4-18(23)21(27)24-19;1-25-7-3-9-26(11-10-25)16-6-5-15-12-17(22(28)29-20(15)13-16)19-14-27-8-2-4-18(23)21(27)24-19;1-24-8-10-25(11-9-24)16-5-4-15-12-17(21(26)27-19(15)13-16)18-6-7-22-20(23-18)14-2-3-14;1-13-20-6-5-17(21-13)16-11-14-3-4-15(12-18(14)25-19(16)24)23-9-7-22(2)8-10-23;1-11-9-22(13(3)8-20-11)15-5-4-14-6-16(18-21-12(2)10-25-18)19(23)24-17(14)7-15/h3-7,10-11,13-14H,8-9,12H2,1-2H3;2,4-6,8,12-14H,3,7,9-11H2,1H3;4-7,12-14H,2-3,8-11H2,1H3;3-6,11-12H,7-10H2,1-2H3;4-7,10-11,13,20H,8-9H2,1-3H3/t14-;;;;11-,13+/m1...1/s1
• InChIKey: JTBHLMAPXCONLI-LTJMMYJOSA-N
• XLogP: 15.89
• TPSA: 291.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 11
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1855.61
LogP ≤ 5	15.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(2-cyclopropylpyrimidin-4-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(2-methylpyrimidin-4-yl)chromen-2-one?

The IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(2-cyclopropylpyrimidin-4-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(2-methylpyrimidin-4-yl)chromen-2-one (CID 159015706) is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(2-cyclopropylpyrimidin-4-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(2-methylpyrimidin-4-yl)chromen-2-one.

What is the SMILES notation for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(2-cyclopropylpyrimidin-4-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(2-methylpyrimidin-4-yl)chromen-2-one?

The canonical SMILES for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(2-cyclopropylpyrimidin-4-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(2-methylpyrimidin-4-yl)chromen-2-one is CN1CCCN(c2ccc3cc(-c4cn5cccc(F)c5n4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4ccnc(C5CC5)n4)c(=O)oc3c2)CC1.C[C@@H]1CN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)CCN1C.Cc1csc(-c2cc3ccc(N4C[C@@H](C)NC[C@@H]4C)cc3oc2=O)n1.Cc1nccc(-c2cc3ccc(N4CCN(C)CC4)cc3oc2=O)n1.

What is the InChIKey of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(2-cyclopropylpyrimidin-4-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(2-methylpyrimidin-4-yl)chromen-2-one?

The InChIKey is JTBHLMAPXCONLI-LTJMMYJOSA-N. The full InChI is InChI=1S/C22H21ClN4O2.C22H21FN4O2.C21H22N4O2.C19H20N4O2.C19H21N3O2S/c1-14-12-26(9-8-25(14)2)16-6-5-15-10-17(22(28)29-20(15)11-16)19-13-27-7-3-4-18(23)21(27)24-19;1-25-7-3-9-26(11-10-25)16-6-5-15-12-17(22(28)29-20(15)13-16)19-14-27-8-2-4-18(23)21(27)24-19;1-24-8-10-25(11-9-24)16-5-4-15-12-17(21(26)27-19(15)13-16)18-6-7-22-20(23-18)14-2-3-14;1-13-20-6-5-17(21-13)16-11-14-3-4-15(12-18(14)25-19(16)24)23-9-7-22(2)8-10-23;1-11-9-22(13(3)8-20-11)15-5-4-14-6-16(18-21-12(2)10-25-18)19(23)24-17(14)7-15/h3-7,10-11,13-14H,8-9,12H2,1-2H3;2,4-6,8,12-14H,3,7,9-11H2,1H3;4-7,12-14H,2-3,8-11H2,1H3;3-6,11-12H,7-10H2,1-2H3;4-7,10-11,13,20H,8-9H2,1-3H3/t14-;;;;11-,13+/m1...1/s1.

What are the key properties of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(2-cyclopropylpyrimidin-4-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(2-methylpyrimidin-4-yl)chromen-2-one?

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(2-cyclopropylpyrimidin-4-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(2-methylpyrimidin-4-yl)chromen-2-one has a molecular weight of 1855.61 g/mol, XLogP of 15.89, 11 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]chromen-2-one;3-(2-cyclopropylpyrimidin-4-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(2-methylpyrimidin-4-yl)chromen-2-one is sourced from PubChem (CID 159015706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).