5-[10-(3,3-difluoroazepane-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(4-fluoro-3-hydroxy-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one

C116H111F10N25O9 — CID 159278981

About 5-[10-(3,3-difluoroazepane-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(4-fluoro-3-hydroxy-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one

5-[10-(3,3-difluoroazepane-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(4-fluoro-3-hydroxy-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one (PubChem CID 159278981) has the molecular formula C116H111F10N25O9 and a molecular weight of 2189.31 g/mol. Its IUPAC name is 5-[10-(3,3-difluoroazepane-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(4-fluoro-3-hydroxy-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one.

Molecular Properties

• Compound Name: 5-[10-(3,3-difluoroazepane-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(4-fluoro-3-hydroxy-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one
• PubChem CID: 159278981
• Molecular Formula: C116H111F10N25O9
• Molecular Weight: 2189.31 g/mol
• Exact Mass: 2187.88
• IUPAC Name: 5-[10-(3,3-difluoroazepane-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(4-fluoro-3-hydroxy-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one
• SMILES: CC(C1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CN4)c4cc(F)cc(c43)C2)CC1)C(F)(F)F.CC1(F)CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CN4)c4cc(F)cc(c43)C2)CC1O.O=C1CNC(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCCCC(F)(F)C2)CC3)=C1c1cnc2ccccn12.O=C1CNC(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCCCC2)CC3)=C1c1nnc2ccccn12
• InChI: InChI=1S/C31H30F4N6O2.C29H27F3N6O2.C29H28F2N6O3.C27H26FN7O2/c1-18(31(33,34)35)19-5-8-38(9-6-19)30(43)40-11-10-39-17-23(22-13-21(32)12-20(16-40)29(22)39)28-27(25(42)15-37-28)24-14-36-26-4-2-3-7-41(24)26;30-19-11-18-15-36(28(40)37-7-4-2-6-29(31,32)17-37)10-9-35-16-21(20(12-19)27(18)35)26-25(23(39)14-34-26)22-13-33-24-5-1-3-8-38(22)24;1-29(31)5-7-35(16-23(29)39)28(40)36-9-8-34-15-20(19-11-18(30)10-17(14-36)27(19)34)26-25(22(38)13-33-26)21-12-32-24-4-2-3-6-37(21)24;28-18-12-17-15-34(27(37)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)24-23(21(36)14-29-24)26-31-30-22-6-2-5-9-35(22)26/h2-4,7,12-14,17-19,37H,5-6,8-11,15-16H2,1H3;1,3,5,8,11-13,16,34H,2,4,6-7,9-10,14-15,17H2;2-4,6,10-12,15,23,33,39H,5,7-9,13-14,16H2,1H3;2,5-6,9,12-13,16,29H,1,3-4,7-8,10-11,14-15H2
• InChIKey: KYRBRYNUVUSGLH-UHFFFAOYSA-N
• XLogP: 16.32
• TPSA: 332.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 9
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2189.31
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5-[10-(3,3-difluoroazepane-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(4-fluoro-3-hydroxy-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one?

The IUPAC name of 5-[10-(3,3-difluoroazepane-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(4-fluoro-3-hydroxy-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one (CID 159278981) is 5-[10-(3,3-difluoroazepane-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(4-fluoro-3-hydroxy-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one.

What is the SMILES notation for 5-[10-(3,3-difluoroazepane-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(4-fluoro-3-hydroxy-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one?

The canonical SMILES for 5-[10-(3,3-difluoroazepane-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(4-fluoro-3-hydroxy-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one is CC(C1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CN4)c4cc(F)cc(c43)C2)CC1)C(F)(F)F.CC1(F)CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CN4)c4cc(F)cc(c43)C2)CC1O.O=C1CNC(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCCCC(F)(F)C2)CC3)=C1c1cnc2ccccn12.O=C1CNC(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCCCC2)CC3)=C1c1nnc2ccccn12.

What is the InChIKey of 5-[10-(3,3-difluoroazepane-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(4-fluoro-3-hydroxy-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one?

The InChIKey is KYRBRYNUVUSGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F4N6O2.C29H27F3N6O2.C29H28F2N6O3.C27H26FN7O2/c1-18(31(33,34)35)19-5-8-38(9-6-19)30(43)40-11-10-39-17-23(22-13-21(32)12-20(16-40)29(22)39)28-27(25(42)15-37-28)24-14-36-26-4-2-3-7-41(24)26;30-19-11-18-15-36(28(40)37-7-4-2-6-29(31,32)17-37)10-9-35-16-21(20(12-19)27(18)35)26-25(23(39)14-34-26)22-13-33-24-5-1-3-8-38(22)24;1-29(31)5-7-35(16-23(29)39)28(40)36-9-8-34-15-20(19-11-18(30)10-17(14-36)27(19)34)26-25(22(38)13-33-26)21-12-32-24-4-2-3-6-37(21)24;28-18-12-17-15-34(27(37)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)24-23(21(36)14-29-24)26-31-30-22-6-2-5-9-35(22)26/h2-4,7,12-14,17-19,37H,5-6,8-11,15-16H2,1H3;1,3,5,8,11-13,16,34H,2,4,6-7,9-10,14-15,17H2;2-4,6,10-12,15,23,33,39H,5,7-9,13-14,16H2,1H3;2,5-6,9,12-13,16,29H,1,3-4,7-8,10-11,14-15H2.

What are the key properties of 5-[10-(3,3-difluoroazepane-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(4-fluoro-3-hydroxy-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one?

5-[10-(3,3-difluoroazepane-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(4-fluoro-3-hydroxy-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one has a molecular weight of 2189.31 g/mol, XLogP of 16.32, 9 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[10-(3,3-difluoroazepane-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(4-fluoro-3-hydroxy-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 159278981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).