3-[10-[4-(aminomethyl)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(4,4-difluoropiperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one

C121H113F14N21O10 — CID 157231426

About 3-[10-[4-(aminomethyl)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(4,4-difluoropiperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one

3-[10-[4-(aminomethyl)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(4,4-difluoropiperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one (PubChem CID 157231426) has the molecular formula C121H113F14N21O10 and a molecular weight of 2287.34 g/mol. Its IUPAC name is 3-[10-[4-(aminomethyl)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(4,4-difluoropiperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one.

Molecular Properties

• Compound Name: 3-[10-[4-(aminomethyl)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(4,4-difluoropiperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one
• PubChem CID: 157231426
• Molecular Formula: C121H113F14N21O10
• Molecular Weight: 2287.34 g/mol
• Exact Mass: 2285.88
• IUPAC Name: 3-[10-[4-(aminomethyl)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(4,4-difluoropiperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one
• SMILES: NCC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(F)cc(c43)C2)CC1.O=C1CCC(c2cn3c4c(cc(C(F)(F)F)cc24)CN(C(=O)N2CCC(CO)CC2)CC3)=C1c1cnc2ccccn12.O=C1CCC(c2cn3c4c(cc(C(F)(F)F)cc24)CN(C(=O)N2CCC(F)(F)CC2)CC3)=C1c1cnc2ccccn12.O=C1CCC(c2cn3c4c(cc(C(F)(F)F)cc24)CN(C(=O)N2CCOCC(F)(F)C2)CC3)=C1c1cnc2ccccn12
• InChI: InChI=1S/C31H30F3N5O3.C30H26F5N5O3.C30H26F5N5O2.C30H31FN6O2/c32-31(33,34)21-13-20-16-38(30(42)36-9-6-19(18-40)7-10-36)12-11-37-17-24(23(14-21)29(20)37)22-4-5-26(41)28(22)25-15-35-27-3-1-2-8-39(25)27;31-29(32)16-39(9-10-43-17-29)28(42)38-8-7-37-15-22(21-12-19(30(33,34)35)11-18(14-38)27(21)37)20-4-5-24(41)26(20)23-13-36-25-3-1-2-6-40(23)25;31-29(32)6-9-37(10-7-29)28(42)39-12-11-38-17-22(21-14-19(30(33,34)35)13-18(16-39)27(21)38)20-4-5-24(41)26(20)23-15-36-25-3-1-2-8-40(23)25;31-21-13-20-17-36(30(39)34-9-6-19(15-32)7-10-34)12-11-35-18-24(23(14-21)29(20)35)22-4-5-26(38)28(22)25-16-33-27-3-1-2-8-37(25)27/h1-3,8,13-15,17,19,40H,4-7,9-12,16,18H2;1-3,6,11-13,15H,4-5,7-10,14,16-17H2;1-3,8,13-15,17H,4-7,9-12,16H2;1-3,8,13-14,16,18-19H,4-7,9-12,15,17,32H2
• InChIKey: AUDMOMCOXMCVEL-UHFFFAOYSA-N
• XLogP: 21.26
• TPSA: 306.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2287.34
LogP ≤ 5	21.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-[10-[4-(aminomethyl)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(4,4-difluoropiperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one?

The IUPAC name of 3-[10-[4-(aminomethyl)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(4,4-difluoropiperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one (CID 157231426) is 3-[10-[4-(aminomethyl)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(4,4-difluoropiperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one.

What is the SMILES notation for 3-[10-[4-(aminomethyl)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(4,4-difluoropiperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one?

The canonical SMILES for 3-[10-[4-(aminomethyl)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(4,4-difluoropiperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one is NCC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(F)cc(c43)C2)CC1.O=C1CCC(c2cn3c4c(cc(C(F)(F)F)cc24)CN(C(=O)N2CCC(CO)CC2)CC3)=C1c1cnc2ccccn12.O=C1CCC(c2cn3c4c(cc(C(F)(F)F)cc24)CN(C(=O)N2CCC(F)(F)CC2)CC3)=C1c1cnc2ccccn12.O=C1CCC(c2cn3c4c(cc(C(F)(F)F)cc24)CN(C(=O)N2CCOCC(F)(F)C2)CC3)=C1c1cnc2ccccn12.

What is the InChIKey of 3-[10-[4-(aminomethyl)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(4,4-difluoropiperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one?

The InChIKey is AUDMOMCOXMCVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N5O3.C30H26F5N5O3.C30H26F5N5O2.C30H31FN6O2/c32-31(33,34)21-13-20-16-38(30(42)36-9-6-19(18-40)7-10-36)12-11-37-17-24(23(14-21)29(20)37)22-4-5-26(41)28(22)25-15-35-27-3-1-2-8-39(25)27;31-29(32)16-39(9-10-43-17-29)28(42)38-8-7-37-15-22(21-12-19(30(33,34)35)11-18(14-38)27(21)37)20-4-5-24(41)26(20)23-13-36-25-3-1-2-6-40(23)25;31-29(32)6-9-37(10-7-29)28(42)39-12-11-38-17-22(21-14-19(30(33,34)35)13-18(16-39)27(21)38)20-4-5-24(41)26(20)23-15-36-25-3-1-2-8-40(23)25;31-21-13-20-17-36(30(39)34-9-6-19(15-32)7-10-34)12-11-35-18-24(23(14-21)29(20)35)22-4-5-26(38)28(22)25-16-33-27-3-1-2-8-37(25)27/h1-3,8,13-15,17,19,40H,4-7,9-12,16,18H2;1-3,6,11-13,15H,4-5,7-10,14,16-17H2;1-3,8,13-15,17H,4-7,9-12,16H2;1-3,8,13-14,16,18-19H,4-7,9-12,15,17,32H2.

What are the key properties of 3-[10-[4-(aminomethyl)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(4,4-difluoropiperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one?

3-[10-[4-(aminomethyl)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(4,4-difluoropiperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one has a molecular weight of 2287.34 g/mol, XLogP of 21.26, 10 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[10-[4-(aminomethyl)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-(4,4-difluoropiperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one;3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one is sourced from PubChem (CID 157231426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).