10-(4-ethylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;2-[6-fluoro-10-(3,3,4,5,5-pentafluoro-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one

C121H109F14N21O9 — CID 157179131

About 10-(4-ethylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;2-[6-fluoro-10-(3,3,4,5,5-pentafluoro-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one

10-(4-ethylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;2-[6-fluoro-10-(3,3,4,5,5-pentafluoro-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one (PubChem CID 157179131) has the molecular formula C121H109F14N21O9 and a molecular weight of 2267.31 g/mol. Its IUPAC name is 10-(4-ethylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;2-[6-fluoro-10-(3,3,4,5,5-pentafluoro-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one.

Molecular Properties

• Compound Name: 10-(4-ethylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;2-[6-fluoro-10-(3,3,4,5,5-pentafluoro-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one
• PubChem CID: 157179131
• Molecular Formula: C121H109F14N21O9
• Molecular Weight: 2267.31 g/mol
• Exact Mass: 2265.85
• IUPAC Name: 10-(4-ethylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;2-[6-fluoro-10-(3,3,4,5,5-pentafluoro-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one
• SMILES: CC1(F)C(F)(F)CN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)CCC4=O)c4cc(F)cc(c43)C2)CC1(F)F.CC1(F)CN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)CCC4=O)c4cc(F)cc(c43)C2)CC(F)(F)C1.CC1(F)CN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)CCC4=O)c4cc(F)cc(c43)C2)CC(F)(F)O1.CCC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)CCC4=O)c4cc(C#N)cc(c43)C2)CC1
• InChI: InChI=1S/C32H32N6O2.C30H25F6N5O2.C30H27F4N5O2.C29H25F4N5O3/c1-2-21-8-11-35(12-9-21)32(40)37-14-13-36-20-26(25-16-22(17-33)15-23(19-37)31(25)36)30-24(6-7-28(30)39)27-18-34-29-5-3-4-10-38(27)29;1-28(32)29(33,34)15-40(16-30(28,35)36)27(43)39-9-8-38-14-21(20-11-18(31)10-17(13-39)26(20)38)25-19(5-6-23(25)42)22-12-37-24-4-2-3-7-41(22)24;1-29(32)15-30(33,34)17-38(16-29)28(41)37-9-8-36-14-22(21-11-19(31)10-18(13-37)27(21)36)26-20(5-6-24(26)40)23-12-35-25-4-2-3-7-39(23)25;1-28(31)15-37(16-29(32,33)41-28)27(40)36-9-8-35-14-21(20-11-18(30)10-17(13-36)26(20)35)25-19(5-6-23(25)39)22-12-34-24-4-2-3-7-38(22)24/h3-5,10,15-16,18,20-21H,2,6-9,11-14,19H2,1H3;2-4,7,10-12,14H,5-6,8-9,13,15-16H2,1H3;2-4,7,10-12,14H,5-6,8-9,13,15-17H2,1H3;2-4,7,10-12,14H,5-6,8-9,13,15-16H2,1H3
• InChIKey: AOJDKNYCOYHKKL-UHFFFAOYSA-N
• XLogP: 22.40
• TPSA: 284.42 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2267.31
LogP ≤ 5	22.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 10-(4-ethylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;2-[6-fluoro-10-(3,3,4,5,5-pentafluoro-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one?

The IUPAC name of 10-(4-ethylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;2-[6-fluoro-10-(3,3,4,5,5-pentafluoro-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one (CID 157179131) is 10-(4-ethylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;2-[6-fluoro-10-(3,3,4,5,5-pentafluoro-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one.

What is the SMILES notation for 10-(4-ethylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;2-[6-fluoro-10-(3,3,4,5,5-pentafluoro-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one?

The canonical SMILES for 10-(4-ethylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;2-[6-fluoro-10-(3,3,4,5,5-pentafluoro-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one is CC1(F)C(F)(F)CN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)CCC4=O)c4cc(F)cc(c43)C2)CC1(F)F.CC1(F)CN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)CCC4=O)c4cc(F)cc(c43)C2)CC(F)(F)C1.CC1(F)CN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)CCC4=O)c4cc(F)cc(c43)C2)CC(F)(F)O1.CCC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)CCC4=O)c4cc(C#N)cc(c43)C2)CC1.

What is the InChIKey of 10-(4-ethylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;2-[6-fluoro-10-(3,3,4,5,5-pentafluoro-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one?

The InChIKey is AOJDKNYCOYHKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O2.C30H25F6N5O2.C30H27F4N5O2.C29H25F4N5O3/c1-2-21-8-11-35(12-9-21)32(40)37-14-13-36-20-26(25-16-22(17-33)15-23(19-37)31(25)36)30-24(6-7-28(30)39)27-18-34-29-5-3-4-10-38(27)29;1-28(32)29(33,34)15-40(16-30(28,35)36)27(43)39-9-8-38-14-21(20-11-18(31)10-17(13-39)26(20)38)25-19(5-6-23(25)42)22-12-37-24-4-2-3-7-41(22)24;1-29(32)15-30(33,34)17-38(16-29)28(41)37-9-8-36-14-22(21-11-19(31)10-18(13-37)27(21)36)26-20(5-6-24(26)40)23-12-35-25-4-2-3-7-39(23)25;1-28(31)15-37(16-29(32,33)41-28)27(40)36-9-8-35-14-21(20-11-18(30)10-17(13-36)26(20)35)25-19(5-6-23(25)39)22-12-34-24-4-2-3-7-38(22)24/h3-5,10,15-16,18,20-21H,2,6-9,11-14,19H2,1H3;2-4,7,10-12,14H,5-6,8-9,13,15-16H2,1H3;2-4,7,10-12,14H,5-6,8-9,13,15-17H2,1H3;2-4,7,10-12,14H,5-6,8-9,13,15-16H2,1H3.

What are the key properties of 10-(4-ethylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;2-[6-fluoro-10-(3,3,4,5,5-pentafluoro-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one?

10-(4-ethylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;2-[6-fluoro-10-(3,3,4,5,5-pentafluoro-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one has a molecular weight of 2267.31 g/mol, XLogP of 22.40, 9 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4-ethylpiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;2-[6-fluoro-10-(3,3,4,5,5-pentafluoro-4-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(2,2,6-trifluoro-6-methylmorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;2-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one is sourced from PubChem (CID 157179131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).