3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one

C109H98ClF9N20O10 — CID 160838349

About 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one (PubChem CID 160838349) has the molecular formula C109H98ClF9N20O10 and a molecular weight of 2054.55 g/mol. Its IUPAC name is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[8-(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-(1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
• PubChem CID: 160838349
• Molecular Formula: C109H98ClF9N20O10
• Molecular Weight: 2054.55 g/mol
• Exact Mass: 2052.73
• IUPAC Name: 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
• SMILES: CN1CCN(c2ccc3cc(-c4cn5cccc(C(F)(F)F)c5n4)c(=O)oc3c2)CC1.C[C@@H]1CN(c2ccc3cc(-c4cn5cccc(C(F)(F)F)c5n4)c(=O)oc3c2)C[C@H](C)N1.Cc1ccn2cc(-c3cc4ccc(N5CCN[C@@H](C)C5)cc4oc3=O)nc2c1.O=c1oc2cc(N3CCCNCC3)ccc2cc1-c1cn2cccc(Cl)c2n1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2cccc(C(F)(F)F)c2n1
• InChI: InChI=1S/C23H21F3N4O2.C22H19F3N4O2.C22H22N4O2.C21H19ClN4O2.C21H17F3N4O2/c1-13-10-30(11-14(2)27-13)16-6-5-15-8-17(22(31)32-20(15)9-16)19-12-29-7-3-4-18(21(29)28-19)23(24,25)26;1-27-7-9-28(10-8-27)15-5-4-14-11-16(21(30)31-19(14)12-15)18-13-29-6-2-3-17(20(29)26-18)22(23,24)25;1-14-5-7-26-13-19(24-21(26)9-14)18-10-16-3-4-17(11-20(16)28-22(18)27)25-8-6-23-15(2)12-25;22-17-3-1-8-26-13-18(24-20(17)26)16-11-14-4-5-15(12-19(14)28-21(16)27)25-9-2-6-23-7-10-25;22-21(23,24)16-2-1-7-28-12-17(26-19(16)28)15-10-13-3-4-14(11-18(13)30-20(15)29)27-8-5-25-6-9-27/h3-9,12-14,27H,10-11H2,1-2H3;2-6,11-13H,7-10H2,1H3;3-5,7,9-11,13,15,23H,6,8,12H2,1-2H3;1,3-5,8,11-13,23H,2,6-7,9-10H2;1-4,7,10-12,25H,5-6,8-9H2/t13-,14+;;15-;;/m..0../s1
• InChIKey: SHRSQTUJYHXUBV-SQMVSRRESA-N
• XLogP: 18.50
• TPSA: 305.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2054.55
LogP ≤ 5	18.50
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-(1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[8-(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-(1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one (CID 160838349) is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[8-(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-(1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[8-(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-(1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one is CN1CCN(c2ccc3cc(-c4cn5cccc(C(F)(F)F)c5n4)c(=O)oc3c2)CC1.C[C@@H]1CN(c2ccc3cc(-c4cn5cccc(C(F)(F)F)c5n4)c(=O)oc3c2)C[C@H](C)N1.Cc1ccn2cc(-c3cc4ccc(N5CCN[C@@H](C)C5)cc4oc3=O)nc2c1.O=c1oc2cc(N3CCCNCC3)ccc2cc1-c1cn2cccc(Cl)c2n1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2cccc(C(F)(F)F)c2n1.

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

The InChIKey is SHRSQTUJYHXUBV-SQMVSRRESA-N. The full InChI is InChI=1S/C23H21F3N4O2.C22H19F3N4O2.C22H22N4O2.C21H19ClN4O2.C21H17F3N4O2/c1-13-10-30(11-14(2)27-13)16-6-5-15-8-17(22(31)32-20(15)9-16)19-12-29-7-3-4-18(21(29)28-19)23(24,25)26;1-27-7-9-28(10-8-27)15-5-4-14-11-16(21(30)31-19(14)12-15)18-13-29-6-2-3-17(20(29)26-18)22(23,24)25;1-14-5-7-26-13-19(24-21(26)9-14)18-10-16-3-4-17(11-20(16)28-22(18)27)25-8-6-23-15(2)12-25;22-17-3-1-8-26-13-18(24-20(17)26)16-11-14-4-5-15(12-19(14)28-21(16)27)25-9-2-6-23-7-10-25;22-21(23,24)16-2-1-7-28-12-17(26-19(16)28)15-10-13-3-4-14(11-18(13)30-20(15)29)27-8-5-25-6-9-27/h3-9,12-14,27H,10-11H2,1-2H3;2-6,11-13H,7-10H2,1H3;3-5,7,9-11,13,15,23H,6,8,12H2,1-2H3;1,3-5,8,11-13,23H,2,6-7,9-10H2;1-4,7,10-12,25H,5-6,8-9H2/t13-,14+;;15-;;/m..0../s1.

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

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one has a molecular weight of 2054.55 g/mol, XLogP of 18.50, 10 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-(1,4-diazepan-1-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one is sourced from PubChem (CID 160838349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).