3-(3,5-difluorophenyl)-5-fluoro-7-piperazin-1-ylchromen-2-one;3-(3,5-difluorophenyl)-7-piperazin-1-ylchromen-2-one;5-fluoro-3-(4-fluoro-1,3-benzoxazol-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one

C103H88F11N15O11 — CID 160506816

About 3-(3,5-difluorophenyl)-5-fluoro-7-piperazin-1-ylchromen-2-one;3-(3,5-difluorophenyl)-7-piperazin-1-ylchromen-2-one;5-fluoro-3-(4-fluoro-1,3-benzoxazol-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one

3-(3,5-difluorophenyl)-5-fluoro-7-piperazin-1-ylchromen-2-one;3-(3,5-difluorophenyl)-7-piperazin-1-ylchromen-2-one;5-fluoro-3-(4-fluoro-1,3-benzoxazol-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one (PubChem CID 160506816) has the molecular formula C103H88F11N15O11 and a molecular weight of 1920.91 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-5-fluoro-7-piperazin-1-ylchromen-2-one;3-(3,5-difluorophenyl)-7-piperazin-1-ylchromen-2-one;5-fluoro-3-(4-fluoro-1,3-benzoxazol-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one.

Molecular Properties

• Compound Name: 3-(3,5-difluorophenyl)-5-fluoro-7-piperazin-1-ylchromen-2-one;3-(3,5-difluorophenyl)-7-piperazin-1-ylchromen-2-one;5-fluoro-3-(4-fluoro-1,3-benzoxazol-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
• PubChem CID: 160506816
• Molecular Formula: C103H88F11N15O11
• Molecular Weight: 1920.91 g/mol
• Exact Mass: 1919.66
• IUPAC Name: 3-(3,5-difluorophenyl)-5-fluoro-7-piperazin-1-ylchromen-2-one;3-(3,5-difluorophenyl)-7-piperazin-1-ylchromen-2-one;5-fluoro-3-(4-fluoro-1,3-benzoxazol-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
• SMILES: CN1CCCN(c2ccc3cc(-c4cn5cc(F)ccc5n4)c(=O)oc3c2)CC1.CN1CCCN(c2ccc3cc(-c4cn5cccc(C(F)(F)F)c5n4)c(=O)oc3c2)CC1.O=c1oc2cc(N3CCNCC3)cc(F)c2cc1-c1cc(F)cc(F)c1.O=c1oc2cc(N3CCNCC3)cc(F)c2cc1-c1nc2c(F)cccc2o1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cc(F)cc(F)c1
• InChI: InChI=1S/C23H21F3N4O2.C22H21FN4O2.C20H15F2N3O3.C19H15F3N2O2.C19H16F2N2O2/c1-28-7-3-9-29(11-10-28)16-6-5-15-12-17(22(31)32-20(15)13-16)19-14-30-8-2-4-18(21(30)27-19)23(24,25)26;1-25-7-2-8-26(10-9-25)17-5-3-15-11-18(22(28)29-20(15)12-17)19-14-27-13-16(23)4-6-21(27)24-19;21-14-2-1-3-16-18(14)24-19(27-16)13-10-12-15(22)8-11(9-17(12)28-20(13)26)25-6-4-23-5-7-25;20-12-5-11(6-13(21)7-12)15-10-16-17(22)8-14(9-18(16)26-19(15)25)24-3-1-23-2-4-24;20-14-7-13(8-15(21)10-14)17-9-12-1-2-16(11-18(12)25-19(17)24)23-5-3-22-4-6-23/h2,4-6,8,12-14H,3,7,9-11H2,1H3;3-6,11-14H,2,7-10H2,1H3;1-3,8-10,23H,4-7H2;5-10,23H,1-4H2;1-2,7-11,22H,3-6H2
• InChIKey: QSNDBDVQVASMSF-UHFFFAOYSA-N
• XLogP: 17.38
• TPSA: 270.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1920.91
LogP ≤ 5	17.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-5-fluoro-7-piperazin-1-ylchromen-2-one;3-(3,5-difluorophenyl)-7-piperazin-1-ylchromen-2-one;5-fluoro-3-(4-fluoro-1,3-benzoxazol-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one?

The IUPAC name of 3-(3,5-difluorophenyl)-5-fluoro-7-piperazin-1-ylchromen-2-one;3-(3,5-difluorophenyl)-7-piperazin-1-ylchromen-2-one;5-fluoro-3-(4-fluoro-1,3-benzoxazol-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one (CID 160506816) is 3-(3,5-difluorophenyl)-5-fluoro-7-piperazin-1-ylchromen-2-one;3-(3,5-difluorophenyl)-7-piperazin-1-ylchromen-2-one;5-fluoro-3-(4-fluoro-1,3-benzoxazol-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one.

What is the SMILES notation for 3-(3,5-difluorophenyl)-5-fluoro-7-piperazin-1-ylchromen-2-one;3-(3,5-difluorophenyl)-7-piperazin-1-ylchromen-2-one;5-fluoro-3-(4-fluoro-1,3-benzoxazol-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one?

The canonical SMILES for 3-(3,5-difluorophenyl)-5-fluoro-7-piperazin-1-ylchromen-2-one;3-(3,5-difluorophenyl)-7-piperazin-1-ylchromen-2-one;5-fluoro-3-(4-fluoro-1,3-benzoxazol-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one is CN1CCCN(c2ccc3cc(-c4cn5cc(F)ccc5n4)c(=O)oc3c2)CC1.CN1CCCN(c2ccc3cc(-c4cn5cccc(C(F)(F)F)c5n4)c(=O)oc3c2)CC1.O=c1oc2cc(N3CCNCC3)cc(F)c2cc1-c1cc(F)cc(F)c1.O=c1oc2cc(N3CCNCC3)cc(F)c2cc1-c1nc2c(F)cccc2o1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cc(F)cc(F)c1.

What is the InChIKey of 3-(3,5-difluorophenyl)-5-fluoro-7-piperazin-1-ylchromen-2-one;3-(3,5-difluorophenyl)-7-piperazin-1-ylchromen-2-one;5-fluoro-3-(4-fluoro-1,3-benzoxazol-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one?

The InChIKey is QSNDBDVQVASMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2.C22H21FN4O2.C20H15F2N3O3.C19H15F3N2O2.C19H16F2N2O2/c1-28-7-3-9-29(11-10-28)16-6-5-15-12-17(22(31)32-20(15)13-16)19-14-30-8-2-4-18(21(30)27-19)23(24,25)26;1-25-7-2-8-26(10-9-25)17-5-3-15-11-18(22(28)29-20(15)12-17)19-14-27-13-16(23)4-6-21(27)24-19;21-14-2-1-3-16-18(14)24-19(27-16)13-10-12-15(22)8-11(9-17(12)28-20(13)26)25-6-4-23-5-7-25;20-12-5-11(6-13(21)7-12)15-10-16-17(22)8-14(9-18(16)26-19(15)25)24-3-1-23-2-4-24;20-14-7-13(8-15(21)10-14)17-9-12-1-2-16(11-18(12)25-19(17)24)23-5-3-22-4-6-23/h2,4-6,8,12-14H,3,7,9-11H2,1H3;3-6,11-14H,2,7-10H2,1H3;1-3,8-10,23H,4-7H2;5-10,23H,1-4H2;1-2,7-11,22H,3-6H2.

What are the key properties of 3-(3,5-difluorophenyl)-5-fluoro-7-piperazin-1-ylchromen-2-one;3-(3,5-difluorophenyl)-7-piperazin-1-ylchromen-2-one;5-fluoro-3-(4-fluoro-1,3-benzoxazol-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one?

3-(3,5-difluorophenyl)-5-fluoro-7-piperazin-1-ylchromen-2-one;3-(3,5-difluorophenyl)-7-piperazin-1-ylchromen-2-one;5-fluoro-3-(4-fluoro-1,3-benzoxazol-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one has a molecular weight of 1920.91 g/mol, XLogP of 17.38, 10 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-difluorophenyl)-5-fluoro-7-piperazin-1-ylchromen-2-one;3-(3,5-difluorophenyl)-7-piperazin-1-ylchromen-2-one;5-fluoro-3-(4-fluoro-1,3-benzoxazol-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one is sourced from PubChem (CID 160506816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).