3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one;7-piperazin-1-yl-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one

C102H96ClN21O10S — CID 158398187

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

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one;7-piperazin-1-yl-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one (PubChem CID 158398187) has the molecular formula C102H96ClN21O10S and a molecular weight of 1843.55 g/mol. Its IUPAC name is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one;7-piperazin-1-yl-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one.

Molecular Properties

• Compound Name: 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one;7-piperazin-1-yl-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one
• PubChem CID: 158398187
• Molecular Formula: C102H96ClN21O10S
• Molecular Weight: 1843.55 g/mol
• Exact Mass: 1841.71
• IUPAC Name: 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one;7-piperazin-1-yl-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one
• SMILES: CN1CCN(c2ccc3cc(-c4cc5ccccn5n4)c(=O)oc3c2)CC1.C[C@H]1CN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)CCN1.Cc1csc2nc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)cn12.O=c1oc2cc(N3CCCNCC3)ccc2cc1-c1cn2cccnc2n1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cc2ccccn2n1
• InChI: InChI=1S/C21H19ClN4O2.C21H20N4O2.C20H19N5O2.C20H20N4O2S.C20H18N4O2/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;1-23-8-10-24(11-9-23)16-6-5-15-12-18(21(26)27-20(15)14-16)19-13-17-4-2-3-7-25(17)22-19;26-19-16(17-13-25-9-2-6-22-20(25)23-17)11-14-3-4-15(12-18(14)27-19)24-8-1-5-21-7-10-24;1-13-12-27-20-21-17(11-24(13)20)16-9-14-3-4-15(10-18(14)26-19(16)25)23-7-5-22(2)6-8-23;25-20-17(18-12-16-3-1-2-8-24(16)22-18)11-14-4-5-15(13-19(14)26-20)23-9-6-21-7-10-23/h2-5,7,9-10,12-13,23H,6,8,11H2,1H3;2-7,12-14H,8-11H2,1H3;2-4,6,9,11-13,21H,1,5,7-8,10H2;3-4,9-12H,5-8H2,1-2H3;1-5,8,11-13,21H,6-7,9-10H2/t13-;;;;/m0..../s1
• InChIKey: GXTULWUDZAUYIC-AHJYMZSGSA-N
• XLogP: 14.47
• TPSA: 309.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 10
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1843.55
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

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-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one;7-piperazin-1-yl-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one?

The IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one;7-piperazin-1-yl-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one (CID 158398187) is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one;7-piperazin-1-yl-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one.

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

The canonical SMILES for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one;7-piperazin-1-yl-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one is CN1CCN(c2ccc3cc(-c4cc5ccccn5n4)c(=O)oc3c2)CC1.C[C@H]1CN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)CCN1.Cc1csc2nc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)cn12.O=c1oc2cc(N3CCCNCC3)ccc2cc1-c1cn2cccnc2n1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cc2ccccn2n1.

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

The InChIKey is GXTULWUDZAUYIC-AHJYMZSGSA-N. The full InChI is InChI=1S/C21H19ClN4O2.C21H20N4O2.C20H19N5O2.C20H20N4O2S.C20H18N4O2/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;1-23-8-10-24(11-9-23)16-6-5-15-12-18(21(26)27-20(15)14-16)19-13-17-4-2-3-7-25(17)22-19;26-19-16(17-13-25-9-2-6-22-20(25)23-17)11-14-3-4-15(12-18(14)27-19)24-8-1-5-21-7-10-24;1-13-12-27-20-21-17(11-24(13)20)16-9-14-3-4-15(10-18(14)26-19(16)25)23-7-5-22(2)6-8-23;25-20-17(18-12-16-3-1-2-8-24(16)22-18)11-14-4-5-15(13-19(14)26-20)23-9-6-21-7-10-23/h2-5,7,9-10,12-13,23H,6,8,11H2,1H3;2-7,12-14H,8-11H2,1H3;2-4,6,9,11-13,21H,1,5,7-8,10H2;3-4,9-12H,5-8H2,1-2H3;1-5,8,11-13,21H,6-7,9-10H2/t13-;;;;/m0..../s1.

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

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one;7-piperazin-1-yl-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one has a molecular weight of 1843.55 g/mol, XLogP of 14.47, 10 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-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one;7-piperazin-1-yl-3-pyrazolo[1,5-a]pyridin-2-ylchromen-2-one is sourced from PubChem (CID 158398187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).