3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-imidazo[2,1-b][1,3]thiazol-6-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one

C103H91ClF9N19O10S — CID 162222798

About 3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-imidazo[2,1-b][1,3]thiazol-6-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one

3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-imidazo[2,1-b][1,3]thiazol-6-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one (PubChem CID 162222798) has the molecular formula C103H91ClF9N19O10S and a molecular weight of 1993.49 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-imidazo[2,1-b][1,3]thiazol-6-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one.

Molecular Properties

• Compound Name: 3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-imidazo[2,1-b][1,3]thiazol-6-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
• PubChem CID: 162222798
• Molecular Formula: C103H91ClF9N19O10S
• Molecular Weight: 1993.49 g/mol
• Exact Mass: 1991.65
• IUPAC Name: 3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-imidazo[2,1-b][1,3]thiazol-6-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
• SMILES: CN1CCN(c2ccc3cc(-c4cn5ccc(C(F)(F)F)cc5n4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4cn5ccsc5n4)c(=O)oc3c2)CC1.C[C@@H]1CN(c2ccc3cc(-c4cn5ccc(C(F)(F)F)cc5n4)c(=O)oc3c2)C[C@H](C)N1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1ccc(Cl)cn1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2ccc(C(F)(F)F)cc2n1
• InChI: InChI=1S/C23H21F3N4O2.C22H19F3N4O2.C21H17F3N4O2.C19H18N4O2S.C18H16ClN3O2/c1-13-10-30(11-14(2)27-13)17-4-3-15-7-18(22(31)32-20(15)9-17)19-12-29-6-5-16(23(24,25)26)8-21(29)28-19;1-27-6-8-28(9-7-27)16-3-2-14-10-17(21(30)31-19(14)12-16)18-13-29-5-4-15(22(23,24)25)11-20(29)26-18;22-21(23,24)14-3-6-28-12-17(26-19(28)10-14)16-9-13-1-2-15(11-18(13)30-20(16)29)27-7-4-25-5-8-27;1-21-4-6-22(7-5-21)14-3-2-13-10-15(18(24)25-17(13)11-14)16-12-23-8-9-26-19(23)20-16;19-13-2-4-16(21-11-13)15-9-12-1-3-14(10-17(12)24-18(15)23)22-7-5-20-6-8-22/h3-9,12-14,27H,10-11H2,1-2H3;2-5,10-13H,6-9H2,1H3;1-3,6,9-12,25H,4-5,7-8H2;2-3,8-12H,4-7H2,1H3;1-4,9-11,20H,5-8H2/t13-,14+
• InChIKey: ZUIVREKVMTUNOO-LSZCJTLMSA-N
• XLogP: 17.57
• TPSA: 291.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1993.49
LogP ≤ 5	17.57
H-Bond Donors ≤ 5	3
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-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-imidazo[2,1-b][1,3]thiazol-6-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one?

The IUPAC name of 3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-imidazo[2,1-b][1,3]thiazol-6-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one (CID 162222798) is 3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-imidazo[2,1-b][1,3]thiazol-6-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one.

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

The canonical SMILES for 3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-imidazo[2,1-b][1,3]thiazol-6-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one is CN1CCN(c2ccc3cc(-c4cn5ccc(C(F)(F)F)cc5n4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4cn5ccsc5n4)c(=O)oc3c2)CC1.C[C@@H]1CN(c2ccc3cc(-c4cn5ccc(C(F)(F)F)cc5n4)c(=O)oc3c2)C[C@H](C)N1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1ccc(Cl)cn1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2ccc(C(F)(F)F)cc2n1.

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

The InChIKey is ZUIVREKVMTUNOO-LSZCJTLMSA-N. The full InChI is InChI=1S/C23H21F3N4O2.C22H19F3N4O2.C21H17F3N4O2.C19H18N4O2S.C18H16ClN3O2/c1-13-10-30(11-14(2)27-13)17-4-3-15-7-18(22(31)32-20(15)9-17)19-12-29-6-5-16(23(24,25)26)8-21(29)28-19;1-27-6-8-28(9-7-27)16-3-2-14-10-17(21(30)31-19(14)12-16)18-13-29-5-4-15(22(23,24)25)11-20(29)26-18;22-21(23,24)14-3-6-28-12-17(26-19(28)10-14)16-9-13-1-2-15(11-18(13)30-20(16)29)27-7-4-25-5-8-27;1-21-4-6-22(7-5-21)14-3-2-13-10-15(18(24)25-17(13)11-14)16-12-23-8-9-26-19(23)20-16;19-13-2-4-16(21-11-13)15-9-12-1-3-14(10-17(12)24-18(15)23)22-7-5-20-6-8-22/h3-9,12-14,27H,10-11H2,1-2H3;2-5,10-13H,6-9H2,1H3;1-3,6,9-12,25H,4-5,7-8H2;2-3,8-12H,4-7H2,1H3;1-4,9-11,20H,5-8H2/t13-,14+;;;;.

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

3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-imidazo[2,1-b][1,3]thiazol-6-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one has a molecular weight of 1993.49 g/mol, XLogP of 17.57, 10 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;3-imidazo[2,1-b][1,3]thiazol-6-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one is sourced from PubChem (CID 162222798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).