3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluorochromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-(3,5-dimethoxyphenyl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one

C112H108Cl2F6N18O12 — CID 161220353

About 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluorochromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-(3,5-dimethoxyphenyl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluorochromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-(3,5-dimethoxyphenyl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one (PubChem CID 161220353) has the molecular formula C112H108Cl2F6N18O12 and a molecular weight of 2083.10 g/mol. Its IUPAC name is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluorochromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-(3,5-dimethoxyphenyl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one.

Molecular Properties

• Compound Name: 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluorochromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-(3,5-dimethoxyphenyl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
• PubChem CID: 161220353
• Molecular Formula: C112H108Cl2F6N18O12
• Molecular Weight: 2083.10 g/mol
• Exact Mass: 2080.77
• IUPAC Name: 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluorochromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-(3,5-dimethoxyphenyl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
• SMILES: COc1cc(OC)cc(-c2cc3ccc(N4CCCNCC4)cc3oc2=O)c1.C[C@@H]1CN(c2cc(F)c3cc(-c4cn5ccc(C(F)(F)F)cc5n4)c(=O)oc3c2)C[C@H](C)N1.C[C@@H]1CN(c2cc(F)c3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)CCN1.C[C@@H]1CN(c2cc(F)c3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)C[C@H](C)N1.Cc1cc(C)c2nc(-c3cc4ccc(N5CCCN(C)CC5)cc4oc3=O)cn2c1
• InChI: InChI=1S/C24H26N4O2.C23H20F4N4O2.C22H20ClFN4O2.C22H24N2O4.C21H18ClFN4O2/c1-16-11-17(2)23-25-21(15-28(23)14-16)20-12-18-5-6-19(13-22(18)30-24(20)29)27-8-4-7-26(3)9-10-27;1-12-9-31(10-13(2)28-12)15-6-18(24)16-8-17(22(32)33-20(16)7-15)19-11-30-4-3-14(23(25,26)27)5-21(30)29-19;1-12-9-28(10-13(2)25-12)14-6-18(24)15-8-16(22(29)30-20(15)7-14)19-11-27-5-3-4-17(23)21(27)26-19;1-26-18-10-16(11-19(14-18)27-2)20-12-15-4-5-17(13-21(15)28-22(20)25)24-8-3-6-23-7-9-24;1-12-10-26(6-4-24-12)13-7-17(23)14-9-15(21(28)29-19(14)8-13)18-11-27-5-2-3-16(22)20(27)25-18/h5-6,11-15H,4,7-10H2,1-3H3;3-8,11-13,28H,9-10H2,1-2H3;3-8,11-13,25H,9-10H2,1-2H3;4-5,10-14,23H,3,6-9H2,1-2H3;2-3,5,7-9,11-12,24H,4,6,10H2,1H3/t;2*12-,13+;;12-/m....1/s1
• InChIKey: UXKMROTYEZAMGT-SNWAXGTKSA-N
• XLogP: 19.38
• TPSA: 306.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 12
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2083.10
LogP ≤ 5	19.38
H-Bond Donors ≤ 5	4
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-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluorochromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-(3,5-dimethoxyphenyl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one?

The IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluorochromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-(3,5-dimethoxyphenyl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one (CID 161220353) is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluorochromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-(3,5-dimethoxyphenyl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one.

What is the SMILES notation for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluorochromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-(3,5-dimethoxyphenyl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one?

The canonical SMILES for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluorochromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-(3,5-dimethoxyphenyl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one is COc1cc(OC)cc(-c2cc3ccc(N4CCCNCC4)cc3oc2=O)c1.C[C@@H]1CN(c2cc(F)c3cc(-c4cn5ccc(C(F)(F)F)cc5n4)c(=O)oc3c2)C[C@H](C)N1.C[C@@H]1CN(c2cc(F)c3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)CCN1.C[C@@H]1CN(c2cc(F)c3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)C[C@H](C)N1.Cc1cc(C)c2nc(-c3cc4ccc(N5CCCN(C)CC5)cc4oc3=O)cn2c1.

What is the InChIKey of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluorochromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-(3,5-dimethoxyphenyl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one?

The InChIKey is UXKMROTYEZAMGT-SNWAXGTKSA-N. The full InChI is InChI=1S/C24H26N4O2.C23H20F4N4O2.C22H20ClFN4O2.C22H24N2O4.C21H18ClFN4O2/c1-16-11-17(2)23-25-21(15-28(23)14-16)20-12-18-5-6-19(13-22(18)30-24(20)29)27-8-4-7-26(3)9-10-27;1-12-9-31(10-13(2)28-12)15-6-18(24)16-8-17(22(32)33-20(16)7-15)19-11-30-4-3-14(23(25,26)27)5-21(30)29-19;1-12-9-28(10-13(2)25-12)14-6-18(24)15-8-16(22(29)30-20(15)7-14)19-11-27-5-3-4-17(23)21(27)26-19;1-26-18-10-16(11-19(14-18)27-2)20-12-15-4-5-17(13-21(15)28-22(20)25)24-8-3-6-23-7-9-24;1-12-10-26(6-4-24-12)13-7-17(23)14-9-15(21(28)29-19(14)8-13)18-11-27-5-2-3-16(22)20(27)25-18/h5-6,11-15H,4,7-10H2,1-3H3;3-8,11-13,28H,9-10H2,1-2H3;3-8,11-13,25H,9-10H2,1-2H3;4-5,10-14,23H,3,6-9H2,1-2H3;2-3,5,7-9,11-12,24H,4,6,10H2,1H3/t;2*12-,13+;;12-/m....1/s1.

What are the key properties of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluorochromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-(3,5-dimethoxyphenyl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one?

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluorochromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-(3,5-dimethoxyphenyl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one has a molecular weight of 2083.10 g/mol, XLogP of 19.38, 12 rotatable bonds, 4 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-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluorochromen-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-(1,4-diazepan-1-yl)-3-(3,5-dimethoxyphenyl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one is sourced from PubChem (CID 161220353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).