3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-(2-chloro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one

C102H100Cl2N20O10S2 — CID 159057004

About 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-(2-chloro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-(2-chloro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one (PubChem CID 159057004) has the molecular formula C102H100Cl2N20O10S2 and a molecular weight of 1901.09 g/mol. Its IUPAC name is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-(2-chloro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one.

Molecular Properties

• Compound Name: 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-(2-chloro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one
• PubChem CID: 159057004
• Molecular Formula: C102H100Cl2N20O10S2
• Molecular Weight: 1901.09 g/mol
• Exact Mass: 1898.67
• IUPAC Name: 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-(2-chloro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one
• SMILES: CN1CCC(N(C)c2ccc3cc(-c4cn5cccnc5n4)c(=O)oc3c2)C1.C[C@@H]1CN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)CCN1.Cc1csc2nc(-c3cc4ccc(N5CCCN(C)CC5)cc4oc3=O)cn12.Cc1csc2nc(-c3cc4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4oc3=O)cn12.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1ccnc(Cl)c1
• InChI: InChI=1S/C21H19ClN4O2.C21H21N5O2.2C21H22N4O2S.C18H16ClN3O2/c1-13-11-25(8-6-23-13)15-5-4-14-9-16(21(27)28-19(14)10-15)18-12-26-7-2-3-17(22)20(26)24-18;1-24-9-6-16(12-24)25(2)15-5-4-14-10-17(20(27)28-19(14)11-15)18-13-26-8-3-7-22-21(26)23-18;1-12-8-24(9-13(2)22-12)16-5-4-15-6-17(20(26)27-19(15)7-16)18-10-25-14(3)11-28-21(25)23-18;1-14-13-28-21-22-18(12-25(14)21)17-10-15-4-5-16(11-19(15)27-20(17)26)24-7-3-6-23(2)8-9-24;19-17-10-12(3-4-21-17)15-9-13-1-2-14(11-16(13)24-18(15)23)22-7-5-20-6-8-22/h2-5,7,9-10,12-13,23H,6,8,11H2,1H3;3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3;4-7,10-13,22H,8-9H2,1-3H3;4-5,10-13H,3,6-9H2,1-2H3;1-4,9-11,20H,5-8H2/t13-;;12-,13+;;/m1..../s1
• InChIKey: JXZFNHPMZILWCF-ONTKOMNJSA-N
• XLogP: 16.40
• TPSA: 304.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 11
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1901.09
LogP ≤ 5	16.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-methylpiperazin-1-yl]chromen-2-one;3-(2-chloro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one?

The IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-(2-chloro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one (CID 159057004) is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-(2-chloro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one.

What is the SMILES notation for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-(2-chloro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one?

The canonical SMILES for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-(2-chloro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one is CN1CCC(N(C)c2ccc3cc(-c4cn5cccnc5n4)c(=O)oc3c2)C1.C[C@@H]1CN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)CCN1.Cc1csc2nc(-c3cc4ccc(N5CCCN(C)CC5)cc4oc3=O)cn12.Cc1csc2nc(-c3cc4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4oc3=O)cn12.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1ccnc(Cl)c1.

What is the InChIKey of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-(2-chloro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one?

The InChIKey is JXZFNHPMZILWCF-ONTKOMNJSA-N. The full InChI is InChI=1S/C21H19ClN4O2.C21H21N5O2.2C21H22N4O2S.C18H16ClN3O2/c1-13-11-25(8-6-23-13)15-5-4-14-9-16(21(27)28-19(14)10-15)18-12-26-7-2-3-17(22)20(26)24-18;1-24-9-6-16(12-24)25(2)15-5-4-14-10-17(20(27)28-19(14)11-15)18-13-26-8-3-7-22-21(26)23-18;1-12-8-24(9-13(2)22-12)16-5-4-15-6-17(20(26)27-19(15)7-16)18-10-25-14(3)11-28-21(25)23-18;1-14-13-28-21-22-18(12-25(14)21)17-10-15-4-5-16(11-19(15)27-20(17)26)24-7-3-6-23(2)8-9-24;19-17-10-12(3-4-21-17)15-9-13-1-2-14(11-16(13)24-18(15)23)22-7-5-20-6-8-22/h2-5,7,9-10,12-13,23H,6,8,11H2,1H3;3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3;4-7,10-13,22H,8-9H2,1-3H3;4-5,10-13H,3,6-9H2,1-2H3;1-4,9-11,20H,5-8H2/t13-;;12-,13+;;/m1..../s1.

What are the key properties of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-(2-chloro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one?

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-(2-chloro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one has a molecular weight of 1901.09 g/mol, XLogP of 16.40, 11 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;3-(2-chloro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-[methyl-(1-methylpyrrolidin-3-yl)amino]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)chromen-2-one is sourced from PubChem (CID 159057004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).