5-[10-(4,4-difluoropiperidine-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]pyrimidin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(hydroxymethyl)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-[6-fluoro-10-(morpholine-4-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-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one

C110H104F6N26O10 — CID 157111546

About 5-[10-(4,4-difluoropiperidine-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]pyrimidin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(hydroxymethyl)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-[6-fluoro-10-(morpholine-4-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-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one

5-[10-(4,4-difluoropiperidine-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]pyrimidin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(hydroxymethyl)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-[6-fluoro-10-(morpholine-4-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-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one (PubChem CID 157111546) has the molecular formula C110H104F6N26O10 and a molecular weight of 2064.20 g/mol. Its IUPAC name is 5-[10-(4,4-difluoropiperidine-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]pyrimidin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(hydroxymethyl)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-[6-fluoro-10-(morpholine-4-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-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one.

Molecular Properties

• Compound Name: 5-[10-(4,4-difluoropiperidine-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]pyrimidin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(hydroxymethyl)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-[6-fluoro-10-(morpholine-4-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-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one
• PubChem CID: 157111546
• Molecular Formula: C110H104F6N26O10
• Molecular Weight: 2064.20 g/mol
• Exact Mass: 2062.83
• IUPAC Name: 5-[10-(4,4-difluoropiperidine-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]pyrimidin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(hydroxymethyl)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-[6-fluoro-10-(morpholine-4-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-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one
• SMILES: O=C1CNC(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCC(CO)CC2)CC3)=C1c1cnc2ccccn12.O=C1CNC(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCC(F)(F)CC2)CC3)=C1c1cnc2ncccn12.O=C1CNC(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCCCC2)CC3)=C1c1cnc2ncccn12.O=C1CNC(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCOCC2)CC3)=C1c1cnc2ccccn12
• InChI: InChI=1S/C29H29FN6O3.C27H24F3N7O2.C27H26FN7O2.C27H25FN6O3/c30-20-11-19-15-35(29(39)33-7-4-18(17-37)5-8-33)10-9-34-16-22(21(12-20)28(19)34)27-26(24(38)14-32-27)23-13-31-25-3-1-2-6-36(23)25;28-17-10-16-14-36(26(39)34-6-2-27(29,30)3-7-34)9-8-35-15-19(18(11-17)24(16)35)23-22(21(38)13-32-23)20-12-33-25-31-4-1-5-37(20)25;28-18-11-17-15-34(27(37)32-6-2-1-3-7-32)10-9-33-16-20(19(12-18)25(17)33)24-23(22(36)14-30-24)21-13-31-26-29-5-4-8-35(21)26;28-18-11-17-15-33(27(36)31-7-9-37-10-8-31)6-5-32-16-20(19(12-18)26(17)32)25-24(22(35)14-30-25)21-13-29-23-3-1-2-4-34(21)23/h1-3,6,11-13,16,18,32,37H,4-5,7-10,14-15,17H2;1,4-5,10-12,15,32H,2-3,6-9,13-14H2;4-5,8,11-13,16,30H,1-3,6-7,9-10,14-15H2;1-4,11-13,16,30H,5-10,14-15H2
• InChIKey: AGXJXXMNHLCJQY-UHFFFAOYSA-N
• XLogP: 12.66
• TPSA: 354.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 9
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2064.20
LogP ≤ 5	12.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-[10-(4,4-difluoropiperidine-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]pyrimidin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(hydroxymethyl)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-[6-fluoro-10-(morpholine-4-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-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one?

The IUPAC name of 5-[10-(4,4-difluoropiperidine-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]pyrimidin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(hydroxymethyl)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-[6-fluoro-10-(morpholine-4-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-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one (CID 157111546) is 5-[10-(4,4-difluoropiperidine-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]pyrimidin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(hydroxymethyl)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-[6-fluoro-10-(morpholine-4-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-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one.

What is the SMILES notation for 5-[10-(4,4-difluoropiperidine-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]pyrimidin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(hydroxymethyl)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-[6-fluoro-10-(morpholine-4-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-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one?

The canonical SMILES for 5-[10-(4,4-difluoropiperidine-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]pyrimidin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(hydroxymethyl)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-[6-fluoro-10-(morpholine-4-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-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one is O=C1CNC(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCC(CO)CC2)CC3)=C1c1cnc2ccccn12.O=C1CNC(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCC(F)(F)CC2)CC3)=C1c1cnc2ncccn12.O=C1CNC(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCCCC2)CC3)=C1c1cnc2ncccn12.O=C1CNC(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCOCC2)CC3)=C1c1cnc2ccccn12.

What is the InChIKey of 5-[10-(4,4-difluoropiperidine-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]pyrimidin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(hydroxymethyl)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-[6-fluoro-10-(morpholine-4-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-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one?

The InChIKey is AGXJXXMNHLCJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN6O3.C27H24F3N7O2.C27H26FN7O2.C27H25FN6O3/c30-20-11-19-15-35(29(39)33-7-4-18(17-37)5-8-33)10-9-34-16-22(21(12-20)28(19)34)27-26(24(38)14-32-27)23-13-31-25-3-1-2-6-36(23)25;28-17-10-16-14-36(26(39)34-6-2-27(29,30)3-7-34)9-8-35-15-19(18(11-17)24(16)35)23-22(21(38)13-32-23)20-12-33-25-31-4-1-5-37(20)25;28-18-11-17-15-34(27(37)32-6-2-1-3-7-32)10-9-33-16-20(19(12-18)25(17)33)24-23(22(36)14-30-24)21-13-31-26-29-5-4-8-35(21)26;28-18-11-17-15-33(27(36)31-7-9-37-10-8-31)6-5-32-16-20(19(12-18)26(17)32)25-24(22(35)14-30-25)21-13-29-23-3-1-2-4-34(21)23/h1-3,6,11-13,16,18,32,37H,4-5,7-10,14-15,17H2;1,4-5,10-12,15,32H,2-3,6-9,13-14H2;4-5,8,11-13,16,30H,1-3,6-7,9-10,14-15H2;1-4,11-13,16,30H,5-10,14-15H2.

What are the key properties of 5-[10-(4,4-difluoropiperidine-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]pyrimidin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(hydroxymethyl)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-[6-fluoro-10-(morpholine-4-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-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one?

5-[10-(4,4-difluoropiperidine-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]pyrimidin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(hydroxymethyl)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-[6-fluoro-10-(morpholine-4-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-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one has a molecular weight of 2064.20 g/mol, XLogP of 12.66, 9 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[10-(4,4-difluoropiperidine-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]pyrimidin-3-yl-1,2-dihydropyrrol-3-one;5-[6-fluoro-10-[4-(hydroxymethyl)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-[6-fluoro-10-(morpholine-4-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-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 157111546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).