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

C112H107F6N25O9 — CID 158834130

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

4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one (PubChem CID 158834130) has the molecular formula C112H107F6N25O9 and a molecular weight of 2061.24 g/mol. Its IUPAC name is 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one.

Molecular Properties

• Compound Name: 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one
• PubChem CID: 158834130
• Molecular Formula: C112H107F6N25O9
• Molecular Weight: 2061.24 g/mol
• Exact Mass: 2059.86
• IUPAC Name: 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one
• SMILES: O=C1CNC(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCC(CO)CC1)CC2.O=C1CNC(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCC(F)(F)CC1)CC2.O=C1CNC(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2.O=C1CNC(c2cnc3ncccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2
• InChI: InChI=1S/C29H29FN6O3.C28H25F3N6O2.C28H27FN6O2.C27H26FN7O2/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)26-24(38)14-32-27(26)23-13-31-25-3-1-2-6-36(23)25;29-18-11-17-15-36(27(39)34-7-4-28(30,31)5-8-34)10-9-35-16-20(19(12-18)26(17)35)24-22(38)14-33-25(24)21-13-32-23-3-1-2-6-37(21)23;29-19-12-18-16-34(28(37)32-7-3-1-4-8-32)11-10-33-17-21(20(13-19)27(18)33)25-23(36)15-31-26(25)22-14-30-24-6-2-5-9-35(22)24;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)23-22(36)14-30-24(23)21-13-31-26-29-5-4-8-35(21)26/h1-3,6,11-13,16,18,32,37H,4-5,7-10,14-15,17H2;1-3,6,11-13,16,33H,4-5,7-10,14-15H2;2,5-6,9,12-14,17,31H,1,3-4,7-8,10-11,15-16H2;4-5,8,11-13,16,30H,1-3,6-7,9-10,14-15H2
• InChIKey: IXKLOGXWBNNQKV-UHFFFAOYSA-N
• XLogP: 14.42
• TPSA: 332.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 9
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2061.24
LogP ≤ 5	14.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one (CID 158834130) is 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one.

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

The canonical SMILES for 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one is O=C1CNC(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCC(CO)CC1)CC2.O=C1CNC(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCC(F)(F)CC1)CC2.O=C1CNC(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2.O=C1CNC(c2cnc3ncccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2.

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

The InChIKey is IXKLOGXWBNNQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN6O3.C28H25F3N6O2.C28H27FN6O2.C27H26FN7O2/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)26-24(38)14-32-27(26)23-13-31-25-3-1-2-6-36(23)25;29-18-11-17-15-36(27(39)34-7-4-28(30,31)5-8-34)10-9-35-16-20(19(12-18)26(17)35)24-22(38)14-33-25(24)21-13-32-23-3-1-2-6-37(21)23;29-19-12-18-16-34(28(37)32-7-3-1-4-8-32)11-10-33-17-21(20(13-19)27(18)33)25-23(36)15-31-26(25)22-14-30-24-6-2-5-9-35(22)24;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)23-22(36)14-30-24(23)21-13-31-26-29-5-4-8-35(21)26/h1-3,6,11-13,16,18,32,37H,4-5,7-10,14-15,17H2;1-3,6,11-13,16,33H,4-5,7-10,14-15H2;2,5-6,9,12-14,17,31H,1,3-4,7-8,10-11,15-16H2;4-5,8,11-13,16,30H,1-3,6-7,9-10,14-15H2.

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

4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one has a molecular weight of 2061.24 g/mol, XLogP of 14.42, 9 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyrimidin-3-yl-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 158834130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).