3-[10-[4-[difluoro(hydroxy)methyl]piperidine-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-ylpyrrole-2,5-dione;3-[10-(4,4-difluoro-3-hydroxypiperidine-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-ylpyrrole-2,5-dione;3-[10-(6,6-difluoro-1,4-oxazepane-4-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-ylpyrrole-2,5-dione;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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;methane

C117H112F10N24O15 — CID 158748027

About 3-[10-[4-[difluoro(hydroxy)methyl]piperidine-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-ylpyrrole-2,5-dione;3-[10-(4,4-difluoro-3-hydroxypiperidine-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-ylpyrrole-2,5-dione;3-[10-(6,6-difluoro-1,4-oxazepane-4-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-ylpyrrole-2,5-dione;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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;methane

3-[10-[4-[difluoro(hydroxy)methyl]piperidine-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-ylpyrrole-2,5-dione;3-[10-(4,4-difluoro-3-hydroxypiperidine-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-ylpyrrole-2,5-dione;3-[10-(6,6-difluoro-1,4-oxazepane-4-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-ylpyrrole-2,5-dione;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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;methane (PubChem CID 158748027) has the molecular formula C117H112F10N24O15 and a molecular weight of 2284.32 g/mol. Its IUPAC name is 3-[10-[4-[difluoro(hydroxy)methyl]piperidine-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-ylpyrrole-2,5-dione;3-[10-(4,4-difluoro-3-hydroxypiperidine-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-ylpyrrole-2,5-dione;3-[10-(6,6-difluoro-1,4-oxazepane-4-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-ylpyrrole-2,5-dione;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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;methane.

Molecular Properties

• Compound Name: 3-[10-[4-[difluoro(hydroxy)methyl]piperidine-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-ylpyrrole-2,5-dione;3-[10-(4,4-difluoro-3-hydroxypiperidine-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-ylpyrrole-2,5-dione;3-[10-(6,6-difluoro-1,4-oxazepane-4-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-ylpyrrole-2,5-dione;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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;methane
• PubChem CID: 158748027
• Molecular Formula: C117H112F10N24O15
• Molecular Weight: 2284.32 g/mol
• Exact Mass: 2282.86
• IUPAC Name: 3-[10-[4-[difluoro(hydroxy)methyl]piperidine-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-ylpyrrole-2,5-dione;3-[10-(4,4-difluoro-3-hydroxypiperidine-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-ylpyrrole-2,5-dione;3-[10-(6,6-difluoro-1,4-oxazepane-4-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-ylpyrrole-2,5-dione;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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;methane
• SMILES: C.C.C.C.O=C1CC(=O)C(c2nnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2.O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCC(C(O)(F)F)CC1)CC2.O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCC(F)(F)C(O)C1)CC2.O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCOCC(F)(F)C1)CC2
• InChI: InChI=1S/C29H25F3N6O4.2C28H23F3N6O4.C28H25FN6O3.4CH4/c30-18-11-16-14-37(28(41)35-7-4-17(5-8-35)29(31,32)42)10-9-36-15-20(19(12-18)25(16)36)23-24(27(40)34-26(23)39)21-13-33-22-3-1-2-6-38(21)22;29-16-9-15-12-36(27(41)35-6-4-28(30,31)20(38)14-35)8-7-34-13-18(17(10-16)24(15)34)22-23(26(40)33-25(22)39)19-11-32-21-3-1-2-5-37(19)21;29-17-9-16-12-35(27(40)36-7-8-41-15-28(30,31)14-36)6-5-34-13-19(18(10-17)24(16)34)22-23(26(39)33-25(22)38)20-11-32-21-3-1-2-4-37(20)21;29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)26(17)33)24-21(36)14-22(37)25(24)27-31-30-23-6-2-5-9-35(23)27;;;;/h1-3,6,11-13,15,17,42H,4-5,7-10,14H2,(H,34,39,40);1-3,5,9-11,13,20,38H,4,6-8,12,14H2,(H,33,39,40);1-4,9-11,13H,5-8,12,14-15H2,(H,33,38,39);2,5-6,9,12-13,16H,1,3-4,7-8,10-11,14-15H2;4*1H4
• InChIKey: INCUOJIPXKFAEM-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 418.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 9
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2284.32
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[10-[4-[difluoro(hydroxy)methyl]piperidine-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-ylpyrrole-2,5-dione;3-[10-(4,4-difluoro-3-hydroxypiperidine-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-ylpyrrole-2,5-dione;3-[10-(6,6-difluoro-1,4-oxazepane-4-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-ylpyrrole-2,5-dione;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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;methane?

The IUPAC name of 3-[10-[4-[difluoro(hydroxy)methyl]piperidine-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-ylpyrrole-2,5-dione;3-[10-(4,4-difluoro-3-hydroxypiperidine-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-ylpyrrole-2,5-dione;3-[10-(6,6-difluoro-1,4-oxazepane-4-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-ylpyrrole-2,5-dione;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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;methane (CID 158748027) is 3-[10-[4-[difluoro(hydroxy)methyl]piperidine-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-ylpyrrole-2,5-dione;3-[10-(4,4-difluoro-3-hydroxypiperidine-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-ylpyrrole-2,5-dione;3-[10-(6,6-difluoro-1,4-oxazepane-4-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-ylpyrrole-2,5-dione;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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;methane.

What is the SMILES notation for 3-[10-[4-[difluoro(hydroxy)methyl]piperidine-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-ylpyrrole-2,5-dione;3-[10-(4,4-difluoro-3-hydroxypiperidine-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-ylpyrrole-2,5-dione;3-[10-(6,6-difluoro-1,4-oxazepane-4-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-ylpyrrole-2,5-dione;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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;methane?

The canonical SMILES for 3-[10-[4-[difluoro(hydroxy)methyl]piperidine-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-ylpyrrole-2,5-dione;3-[10-(4,4-difluoro-3-hydroxypiperidine-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-ylpyrrole-2,5-dione;3-[10-(6,6-difluoro-1,4-oxazepane-4-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-ylpyrrole-2,5-dione;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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;methane is C.C.C.C.O=C1CC(=O)C(c2nnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2.O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCC(C(O)(F)F)CC1)CC2.O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCC(F)(F)C(O)C1)CC2.O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCOCC(F)(F)C1)CC2.

What is the InChIKey of 3-[10-[4-[difluoro(hydroxy)methyl]piperidine-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-ylpyrrole-2,5-dione;3-[10-(4,4-difluoro-3-hydroxypiperidine-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-ylpyrrole-2,5-dione;3-[10-(6,6-difluoro-1,4-oxazepane-4-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-ylpyrrole-2,5-dione;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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;methane?

The InChIKey is INCUOJIPXKFAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N6O4.2C28H23F3N6O4.C28H25FN6O3.4CH4/c30-18-11-16-14-37(28(41)35-7-4-17(5-8-35)29(31,32)42)10-9-36-15-20(19(12-18)25(16)36)23-24(27(40)34-26(23)39)21-13-33-22-3-1-2-6-38(21)22;29-16-9-15-12-36(27(41)35-6-4-28(30,31)20(38)14-35)8-7-34-13-18(17(10-16)24(15)34)22-23(26(40)33-25(22)39)19-11-32-21-3-1-2-5-37(19)21;29-17-9-16-12-35(27(40)36-7-8-41-15-28(30,31)14-36)6-5-34-13-19(18(10-17)24(16)34)22-23(26(39)33-25(22)38)20-11-32-21-3-1-2-4-37(20)21;29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)26(17)33)24-21(36)14-22(37)25(24)27-31-30-23-6-2-5-9-35(23)27;;;;/h1-3,6,11-13,15,17,42H,4-5,7-10,14H2,(H,34,39,40);1-3,5,9-11,13,20,38H,4,6-8,12,14H2,(H,33,39,40);1-4,9-11,13H,5-8,12,14-15H2,(H,33,38,39);2,5-6,9,12-13,16H,1,3-4,7-8,10-11,14-15H2;4*1H4.

What are the key properties of 3-[10-[4-[difluoro(hydroxy)methyl]piperidine-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-ylpyrrole-2,5-dione;3-[10-(4,4-difluoro-3-hydroxypiperidine-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-ylpyrrole-2,5-dione;3-[10-(6,6-difluoro-1,4-oxazepane-4-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-ylpyrrole-2,5-dione;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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;methane?

3-[10-[4-[difluoro(hydroxy)methyl]piperidine-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-ylpyrrole-2,5-dione;3-[10-(4,4-difluoro-3-hydroxypiperidine-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-ylpyrrole-2,5-dione;3-[10-(6,6-difluoro-1,4-oxazepane-4-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-ylpyrrole-2,5-dione;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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;methane has a molecular weight of 2284.32 g/mol, XLogP of 15.00, 9 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[10-[4-[difluoro(hydroxy)methyl]piperidine-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-ylpyrrole-2,5-dione;3-[10-(4,4-difluoro-3-hydroxypiperidine-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-ylpyrrole-2,5-dione;3-[10-(6,6-difluoro-1,4-oxazepane-4-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-ylpyrrole-2,5-dione;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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-4-ene-1,3-dione;methane is sourced from PubChem (CID 158748027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).