3-(1,3-benzothiazol-2-yl)-7-[(1,3-dihydroxypropan-2-ylamino)methyl]chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one

C110H109FN18O13S — CID 160993214

About 3-(1,3-benzothiazol-2-yl)-7-[(1,3-dihydroxypropan-2-ylamino)methyl]chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one

3-(1,3-benzothiazol-2-yl)-7-[(1,3-dihydroxypropan-2-ylamino)methyl]chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one (PubChem CID 160993214) has the molecular formula C110H109FN18O13S and a molecular weight of 1942.26 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-7-[(1,3-dihydroxypropan-2-ylamino)methyl]chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one.

Molecular Properties

• Compound Name: 3-(1,3-benzothiazol-2-yl)-7-[(1,3-dihydroxypropan-2-ylamino)methyl]chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one
• PubChem CID: 160993214
• Molecular Formula: C110H109FN18O13S
• Molecular Weight: 1942.26 g/mol
• Exact Mass: 1940.81
• IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-[(1,3-dihydroxypropan-2-ylamino)methyl]chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one
• SMILES: CCCN1CCN(c2ccc3cc(-c4cn5cccc(C)c5n4)c(=O)oc3c2)CC1.CCN1CCN(c2ccc3cc(-c4cn5cccc(C)c5n4)c(=O)oc3c2)CC1.Cc1cccn2cc(-c3cc4ccc(N5CCN(CCO)CC5)cc4oc3=O)nc12.O=c1oc2cc(CNC(CO)CO)ccc2cc1-c1nc2ccccc2s1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2cc(F)ccc2n1
• InChI: InChI=1S/C24H26N4O2.C23H24N4O3.C23H24N4O2.C20H17FN4O2.C20H18N2O4S/c1-3-8-26-10-12-27(13-11-26)19-7-6-18-14-20(24(29)30-22(18)15-19)21-16-28-9-4-5-17(2)23(28)25-21;1-16-3-2-6-27-15-20(24-22(16)27)19-13-17-4-5-18(14-21(17)30-23(19)29)26-9-7-25(8-10-26)11-12-28;1-3-25-9-11-26(12-10-25)18-7-6-17-13-19(23(28)29-21(17)14-18)20-15-27-8-4-5-16(2)22(27)24-20;21-14-2-4-19-23-17(12-25(19)11-14)16-9-13-1-3-15(10-18(13)27-20(16)26)24-7-5-22-6-8-24;23-10-14(11-24)21-9-12-5-6-13-8-15(20(25)26-17(13)7-12)19-22-16-3-1-2-4-18(16)27-19/h4-7,9,14-16H,3,8,10-13H2,1-2H3;2-6,13-15,28H,7-12H2,1H3;4-8,13-15H,3,9-12H2,1-2H3;1-4,9-12,22H,5-8H2;1-8,14,21,23-24H,9-11H2
• InChIKey: TUXIKEBZYLVDAR-UHFFFAOYSA-N
• XLogP: 15.21
• TPSA: 340.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1942.26
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	5
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-(1,3-benzothiazol-2-yl)-7-[(1,3-dihydroxypropan-2-ylamino)methyl]chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one?

The IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-[(1,3-dihydroxypropan-2-ylamino)methyl]chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one (CID 160993214) is 3-(1,3-benzothiazol-2-yl)-7-[(1,3-dihydroxypropan-2-ylamino)methyl]chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one.

What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-7-[(1,3-dihydroxypropan-2-ylamino)methyl]chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one?

The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-7-[(1,3-dihydroxypropan-2-ylamino)methyl]chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one is CCCN1CCN(c2ccc3cc(-c4cn5cccc(C)c5n4)c(=O)oc3c2)CC1.CCN1CCN(c2ccc3cc(-c4cn5cccc(C)c5n4)c(=O)oc3c2)CC1.Cc1cccn2cc(-c3cc4ccc(N5CCN(CCO)CC5)cc4oc3=O)nc12.O=c1oc2cc(CNC(CO)CO)ccc2cc1-c1nc2ccccc2s1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2cc(F)ccc2n1.

What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-7-[(1,3-dihydroxypropan-2-ylamino)methyl]chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one?

The InChIKey is TUXIKEBZYLVDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.C23H24N4O3.C23H24N4O2.C20H17FN4O2.C20H18N2O4S/c1-3-8-26-10-12-27(13-11-26)19-7-6-18-14-20(24(29)30-22(18)15-19)21-16-28-9-4-5-17(2)23(28)25-21;1-16-3-2-6-27-15-20(24-22(16)27)19-13-17-4-5-18(14-21(17)30-23(19)29)26-9-7-25(8-10-26)11-12-28;1-3-25-9-11-26(12-10-25)18-7-6-17-13-19(23(28)29-21(17)14-18)20-15-27-8-4-5-16(2)22(27)24-20;21-14-2-4-19-23-17(12-25(19)11-14)16-9-13-1-3-15(10-18(13)27-20(16)26)24-7-5-22-6-8-24;23-10-14(11-24)21-9-12-5-6-13-8-15(20(25)26-17(13)7-12)19-22-16-3-1-2-4-18(16)27-19/h4-7,9,14-16H,3,8,10-13H2,1-2H3;2-6,13-15,28H,7-12H2,1H3;4-8,13-15H,3,9-12H2,1-2H3;1-4,9-12,22H,5-8H2;1-8,14,21,23-24H,9-11H2.

What are the key properties of 3-(1,3-benzothiazol-2-yl)-7-[(1,3-dihydroxypropan-2-ylamino)methyl]chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one?

3-(1,3-benzothiazol-2-yl)-7-[(1,3-dihydroxypropan-2-ylamino)methyl]chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one has a molecular weight of 1942.26 g/mol, XLogP of 15.21, 19 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzothiazol-2-yl)-7-[(1,3-dihydroxypropan-2-ylamino)methyl]chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one is sourced from PubChem (CID 160993214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).