3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one

C122H122F7N21O8 — CID 157477283

IUPAC3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one
SMILESCC(C1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(F)cc(c43)C2)CC1)C(F)(F)F.CNCC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(F)cc(c43)C2)CC1.[2H]C1([2H])N(C(=O)N2CCCCC2)Cc2cc(F)cc3c(C4=C(c5cnc6ccccn56)C(=O)CC4)cn(c23)C1([2H])[2H].[2H]C1([2H])N(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(F)cc(c43)C2)C([2H])([2H])C([2H])([2H])C([2H])(C)C1([2H])[2H]
InChIInChI=1S/C32H31F4N5O2.C31H33FN6O2.C30H30FN5O2.C29H28FN5O2/c1-19(32(34,35)36)20-7-10-38(11-8-20)31(43)40-13-12-39-18-25(24-15-22(33)14-21(17-40)30(24)39)23-5-6-27(42)29(23)26-16-37-28-4-2-3-9-41(26)28;1-33-16-20-7-10-35(11-8-20)31(40)37-13-12-36-19-25(24-15-22(32)14-21(18-37)30(24)36)23-5-6-27(39)29(23)26-17-34-28-4-2-3-9-38(26)28;1-19-7-10-33(11-8-19)30(38)35-13-12-34-18-24(23-15-21(31)14-20(17-35)29(23)34)22-5-6-26(37)28(22)25-16-32-27-4-2-3-9-36(25)27;30-20-14-19-17-34(29(37)32-9-3-1-4-10-32)13-12-33-18-23(22(15-20)28(19)33)21-7-8-25(36)27(21)24-16-31-26-6-2-5-11-35(24)26/h2-4,9,14-16,18-20H,5-8,10-13,17H2,1H3;2-4,9,14-15,17,19-20,33H,5-8,10-13,16,18H2,1H3;2-4,9,14-16,18-19H,5-8,10-13,17H2,1H3;2,5-6,11,14-16,18H,1,3-4,7-10,12-13,17H2/i;;7D2,8D2,10D2,11D2,19D;12D2,13D2
InChIKeyBVTAFZAFOWIWNI-ZXMQGIITSA-N
MW2156.52 g/mol
LogP21.61
Rot. Bonds11

About 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one

3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one (PubChem CID 157477283) has the molecular formula C122H122F7N21O8 and a molecular weight of 2156.52 g/mol. Its IUPAC name is 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one
PubChem CID157477283
Molecular FormulaC122H122F7N21O8
Molecular Weight2156.52 g/mol
Exact Mass2155.05
IUPAC Name3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one
SMILESCC(C1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(F)cc(c43)C2)CC1)C(F)(F)F.CNCC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(F)cc(c43)C2)CC1.[2H]C1([2H])N(C(=O)N2CCCCC2)Cc2cc(F)cc3c(C4=C(c5cnc6ccccn56)C(=O)CC4)cn(c23)C1([2H])[2H].[2H]C1([2H])N(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(F)cc(c43)C2)C([2H])([2H])C([2H])([2H])C([2H])(C)C1([2H])[2H]
InChIInChI=1S/C32H31F4N5O2.C31H33FN6O2.C30H30FN5O2.C29H28FN5O2/c1-19(32(34,35)36)20-7-10-38(11-8-20)31(43)40-13-12-39-18-25(24-15-22(33)14-21(17-40)30(24)39)23-5-6-27(42)29(23)26-16-37-28-4-2-3-9-41(26)28;1-33-16-20-7-10-35(11-8-20)31(40)37-13-12-36-19-25(24-15-22(32)14-21(18-37)30(24)36)23-5-6-27(39)29(23)26-17-34-28-4-2-3-9-38(26)28;1-19-7-10-33(11-8-19)30(38)35-13-12-34-18-24(23-15-21(31)14-20(17-35)29(23)34)22-5-6-26(37)28(22)25-16-32-27-4-2-3-9-36(25)27;30-20-14-19-17-34(29(37)32-9-3-1-4-10-32)13-12-33-18-23(22(15-20)28(19)33)21-7-8-25(36)27(21)24-16-31-26-6-2-5-11-35(24)26/h2-4,9,14-16,18-20H,5-8,10-13,17H2,1H3;2-4,9,14-15,17,19-20,33H,5-8,10-13,16,18H2,1H3;2-4,9,14-16,18-19H,5-8,10-13,17H2,1H3;2,5-6,11,14-16,18H,1,3-4,7-10,12-13,17H2/i;;7D2,8D2,10D2,11D2,19D;12D2,13D2
InChIKeyBVTAFZAFOWIWNI-ZXMQGIITSA-N
XLogP21.61
TPSA263.43 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002156.52
LogP ≤ 521.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[2,6-Difluoro-3-[4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carbonyl]phenyl]methyl]-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 123381278
[(3R,4R)-4-[[2,6-difluoro-3-[(3S,4S)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carbonyl]phenyl]methyl]-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 129131028
[2-[6-[(3aS,7aR)-6-[2-[4-ethenyl-5-(methylideneamino)-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 129235992
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[5-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 129236564
3-[10-(2,5-Diazabicyclo[2.2.1]heptane-2-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-yl-1,2-dihydropyrrol-5-one
CID 135275018
3-[6-Fluoro-10-[4-(methylaminomethyl)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-5-one
CID 135275026
4-[10-(2,5-Diazabicyclo[2.2.1]heptane-2-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
CID 135275039
4-[6-Fluoro-10-(3,3,4,4,5,5-hexafluoropiperidine-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-yl-1,2-dihydropyrrol-5-one
CID 135275043
4-[6-Fluoro-10-(3,3,5,5-tetrafluoropiperidine-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-yl-1,2-dihydropyrrol-5-one
CID 135275044
4-[10-[4-[(Dimethylamino)methyl]piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
CID 135275090
4-[6-Fluoro-10-(2-methyl-2,8-diazaspiro[4.5]decane-8-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-yl-1,2-dihydropyrrol-5-one
CID 135275106
4-[6-Fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-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-yl-1,2-dihydropyrrol-5-one
CID 135275107

Frequently Asked Questions

What is the IUPAC name of 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one?
The IUPAC name of 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one (CID 157477283) is 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one is CC(C1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(F)cc(c43)C2)CC1)C(F)(F)F.CNCC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(F)cc(c43)C2)CC1.[2H]C1([2H])N(C(=O)N2CCCCC2)Cc2cc(F)cc3c(C4=C(c5cnc6ccccn56)C(=O)CC4)cn(c23)C1([2H])[2H].[2H]C1([2H])N(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CC4)c4cc(F)cc(c43)C2)C([2H])([2H])C([2H])([2H])C([2H])(C)C1([2H])[2H].
What is the InChIKey of 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one?
The InChIKey is BVTAFZAFOWIWNI-ZXMQGIITSA-N. The full InChI is InChI=1S/C32H31F4N5O2.C31H33FN6O2.C30H30FN5O2.C29H28FN5O2/c1-19(32(34,35)36)20-7-10-38(11-8-20)31(43)40-13-12-39-18-25(24-15-22(33)14-21(17-40)30(24)39)23-5-6-27(42)29(23)26-16-37-28-4-2-3-9-41(26)28;1-33-16-20-7-10-35(11-8-20)31(40)37-13-12-36-19-25(24-15-22(32)14-21(18-37)30(24)36)23-5-6-27(39)29(23)26-17-34-28-4-2-3-9-38(26)28;1-19-7-10-33(11-8-19)30(38)35-13-12-34-18-24(23-15-21(31)14-20(17-35)29(23)34)22-5-6-26(37)28(22)25-16-32-27-4-2-3-9-36(25)27;30-20-14-19-17-34(29(37)32-9-3-1-4-10-32)13-12-33-18-23(22(15-20)28(19)33)21-7-8-25(36)27(21)24-16-31-26-6-2-5-11-35(24)26/h2-4,9,14-16,18-20H,5-8,10-13,17H2,1H3;2-4,9,14-15,17,19-20,33H,5-8,10-13,16,18H2,1H3;2-4,9,14-16,18-19H,5-8,10-13,17H2,1H3;2,5-6,11,14-16,18H,1,3-4,7-10,12-13,17H2/i;;7D2,8D2,10D2,11D2,19D;12D2,13D2.
What are the key properties of 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one?
3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one has a molecular weight of 2156.52 g/mol, XLogP of 21.61, 11 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-fluoro-10-[4-(methylaminomethyl)piperidine-1-carbonyl]-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-[6-fluoro-10-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidine-1-carbonyl)-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-[6-fluoro-10-[4-(1,1,1-trifluoropropan-2-yl)piperidine-1-carbonyl]-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;2-imidazo[1,2-a]pyridin-3-yl-3-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 157477283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).