4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one

C118H118F7N25O8 — CID 157361200

IUPAC4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one
SMILESCC(C1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)NCC4=O)c4cc(F)cc(c43)C2)CC1)C(F)(F)F.CNCC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)NCC4=O)c4cc(F)cc(c43)C2)CC1.[2H]C1([2H])N(C(=O)N2CCCCC2)Cc2cc(F)cc3c(C4=C(c5cnc6ccccn56)NCC4=O)cn(c23)C1([2H])[2H].[2H]C1([2H])N(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)NCC4=O)c4cc(F)cc(c43)C2)C([2H])([2H])C([2H])([2H])C([2H])(C)C1([2H])[2H]
InChIInChI=1S/C31H30F4N6O2.C30H32FN7O2.C29H29FN6O2.C28H27FN6O2/c1-18(31(33,34)35)19-5-8-38(9-6-19)30(43)40-11-10-39-17-23(22-13-21(32)12-20(16-40)29(22)39)27-25(42)15-37-28(27)24-14-36-26-4-2-3-7-41(24)26;1-32-14-19-5-8-35(9-6-19)30(40)37-11-10-36-18-23(22-13-21(31)12-20(17-37)29(22)36)27-25(39)16-34-28(27)24-15-33-26-4-2-3-7-38(24)26;1-18-5-8-33(9-6-18)29(38)35-11-10-34-17-22(21-13-20(30)12-19(16-35)28(21)34)26-24(37)15-32-27(26)23-14-31-25-4-2-3-7-36(23)25;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/h2-4,7,12-14,17-19,37H,5-6,8-11,15-16H2,1H3;2-4,7,12-13,15,18-19,32,34H,5-6,8-11,14,16-17H2,1H3;2-4,7,12-14,17-18,32H,5-6,8-11,15-16H2,1H3;2,5-6,9,12-14,17,31H,1,3-4,7-8,10-11,15-16H2/i;;5D2,6D2,8D2,9D2,18D;10D2,11D2
InChIKeyBIQUVINQUPJAQP-KOVRFHEYSA-N
MW2160.47 g/mol
LogP16.68
Rot. Bonds11

About 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one

4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one (PubChem CID 157361200) has the molecular formula C118H118F7N25O8 and a molecular weight of 2160.47 g/mol. Its IUPAC name is 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one.

Molecular Properties

Compound Name4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one
PubChem CID157361200
Molecular FormulaC118H118F7N25O8
Molecular Weight2160.47 g/mol
Exact Mass2159.03
IUPAC Name4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one
SMILESCC(C1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)NCC4=O)c4cc(F)cc(c43)C2)CC1)C(F)(F)F.CNCC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)NCC4=O)c4cc(F)cc(c43)C2)CC1.[2H]C1([2H])N(C(=O)N2CCCCC2)Cc2cc(F)cc3c(C4=C(c5cnc6ccccn56)NCC4=O)cn(c23)C1([2H])[2H].[2H]C1([2H])N(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)NCC4=O)c4cc(F)cc(c43)C2)C([2H])([2H])C([2H])([2H])C([2H])(C)C1([2H])[2H]
InChIInChI=1S/C31H30F4N6O2.C30H32FN7O2.C29H29FN6O2.C28H27FN6O2/c1-18(31(33,34)35)19-5-8-38(9-6-19)30(43)40-11-10-39-17-23(22-13-21(32)12-20(16-40)29(22)39)27-25(42)15-37-28(27)24-14-36-26-4-2-3-7-41(24)26;1-32-14-19-5-8-35(9-6-19)30(40)37-11-10-36-18-23(22-13-21(31)12-20(17-37)29(22)36)27-25(39)16-34-28(27)24-15-33-26-4-2-3-7-38(24)26;1-18-5-8-33(9-6-18)29(38)35-11-10-34-17-22(21-13-20(30)12-19(16-35)28(21)34)26-24(37)15-32-27(26)23-14-31-25-4-2-3-7-36(23)25;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/h2-4,7,12-14,17-19,37H,5-6,8-11,15-16H2,1H3;2-4,7,12-13,15,18-19,32,34H,5-6,8-11,14,16-17H2,1H3;2-4,7,12-14,17-18,32H,5-6,8-11,15-16H2,1H3;2,5-6,9,12-14,17,31H,1,3-4,7-8,10-11,15-16H2/i;;5D2,6D2,8D2,9D2,18D;10D2,11D2
InChIKeyBIQUVINQUPJAQP-KOVRFHEYSA-N
XLogP16.68
TPSA311.55 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds11
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002160.47
LogP ≤ 516.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one with MolForge

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Related Compounds

[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
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
6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide
CID 135275122
4-[6-Fluoro-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-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 135275123
6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide
CID 135275125
4-[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]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
CID 135275137

Frequently Asked Questions

What is the IUPAC name of 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one?
The IUPAC name of 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one (CID 157361200) is 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one.
What is the SMILES notation for 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one?
The canonical SMILES for 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one is CC(C1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)NCC4=O)c4cc(F)cc(c43)C2)CC1)C(F)(F)F.CNCC1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)NCC4=O)c4cc(F)cc(c43)C2)CC1.[2H]C1([2H])N(C(=O)N2CCCCC2)Cc2cc(F)cc3c(C4=C(c5cnc6ccccn56)NCC4=O)cn(c23)C1([2H])[2H].[2H]C1([2H])N(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)NCC4=O)c4cc(F)cc(c43)C2)C([2H])([2H])C([2H])([2H])C([2H])(C)C1([2H])[2H].
What is the InChIKey of 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one?
The InChIKey is BIQUVINQUPJAQP-KOVRFHEYSA-N. The full InChI is InChI=1S/C31H30F4N6O2.C30H32FN7O2.C29H29FN6O2.C28H27FN6O2/c1-18(31(33,34)35)19-5-8-38(9-6-19)30(43)40-11-10-39-17-23(22-13-21(32)12-20(16-40)29(22)39)27-25(42)15-37-28(27)24-14-36-26-4-2-3-7-41(24)26;1-32-14-19-5-8-35(9-6-19)30(40)37-11-10-36-18-23(22-13-21(31)12-20(17-37)29(22)36)27-25(39)16-34-28(27)24-15-33-26-4-2-3-7-38(24)26;1-18-5-8-33(9-6-18)29(38)35-11-10-34-17-22(21-13-20(30)12-19(16-35)28(21)34)26-24(37)15-32-27(26)23-14-31-25-4-2-3-7-36(23)25;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/h2-4,7,12-14,17-19,37H,5-6,8-11,15-16H2,1H3;2-4,7,12-13,15,18-19,32,34H,5-6,8-11,14,16-17H2,1H3;2-4,7,12-14,17-18,32H,5-6,8-11,15-16H2,1H3;2,5-6,9,12-14,17,31H,1,3-4,7-8,10-11,15-16H2/i;;5D2,6D2,8D2,9D2,18D;10D2,11D2.
What are the key properties of 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one?
4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one has a molecular weight of 2160.47 g/mol, XLogP of 16.68, 11 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;4-[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]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one;5-imidazo[1,2-a]pyridin-3-yl-4-[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]-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 157361200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).