1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione

C148H154ClF3N30O17 — CID 162092415

IUPAC1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione
SMILESCC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3CCC3CCN(C4CCN(C(=O)N5C(=O)C(c6cn7c8c(cc(F)cc68)CN(C(=O)N6CCCCC6)CC7)=C(c6cnc7ccccn67)C5=O)CC4)CC3)c2)c(O)cc1O.O=C(N1CCCCC1)N1CCn2cc(C3=C(c4cnc5ccccn45)C(=O)N(C(=O)Cl)C3=O)c3cc(F)cc(c32)C1.O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2.[H]/N=C(\c1cc(C(C)C)c(O)cc1O)N(C(N)=O)c1ccc2c(ccn2CCC2CCN(C3CCNCC3)CC2)c1
InChIInChI=1S/C60H63FN12O7.C31H42N6O3.C29H24ClFN6O4.C28H25FN6O3/c1-36(2)43-31-45(50(75)32-49(43)74)55-63-64-58(78)72(55)42-9-10-47-38(29-42)14-23-66(47)22-13-37-11-20-65(21-12-37)41-15-24-68(25-16-41)60(80)73-56(76)52(53(57(73)77)48-33-62-51-8-4-7-19-71(48)51)46-35-69-26-27-70(59(79)67-17-5-3-6-18-67)34-39-28-40(61)30-44(46)54(39)69;1-20(2)25-18-26(29(39)19-28(25)38)30(32)37(31(33)40)24-3-4-27-22(17-24)10-16-36(27)15-9-21-7-13-35(14-8-21)23-5-11-34-12-6-23;30-28(40)37-26(38)23(24(27(37)39)21-14-32-22-6-2-5-9-36(21)22)20-16-34-10-11-35(29(41)33-7-3-1-4-8-33)15-17-12-18(31)13-19(20)25(17)34;29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h4,7-10,14,19,23,28-33,35-37,41,74-75H,3,5-6,11-13,15-18,20-22,24-27,34H2,1-2H3,(H,64,78);3-4,10,16-21,23,32,34,38-39H,5-9,11-15H2,1-2H3,(H2,33,40);2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2;2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)/b;32-30+;;
InChIKeyZDUHLSLUXRFHKL-FZCVOJNZSA-N
MW2717.50 g/mol
LogP21.39
Rot. Bonds20

About 1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione

1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione (PubChem CID 162092415) has the molecular formula C148H154ClF3N30O17 and a molecular weight of 2717.50 g/mol. Its IUPAC name is 1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione
PubChem CID162092415
Molecular FormulaC148H154ClF3N30O17
Molecular Weight2717.50 g/mol
Exact Mass2715.17
IUPAC Name1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione
SMILESCC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3CCC3CCN(C4CCN(C(=O)N5C(=O)C(c6cn7c8c(cc(F)cc68)CN(C(=O)N6CCCCC6)CC7)=C(c6cnc7ccccn67)C5=O)CC4)CC3)c2)c(O)cc1O.O=C(N1CCCCC1)N1CCn2cc(C3=C(c4cnc5ccccn45)C(=O)N(C(=O)Cl)C3=O)c3cc(F)cc(c32)C1.O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2.[H]/N=C(\c1cc(C(C)C)c(O)cc1O)N(C(N)=O)c1ccc2c(ccn2CCC2CCN(C3CCNCC3)CC2)c1
InChIInChI=1S/C60H63FN12O7.C31H42N6O3.C29H24ClFN6O4.C28H25FN6O3/c1-36(2)43-31-45(50(75)32-49(43)74)55-63-64-58(78)72(55)42-9-10-47-38(29-42)14-23-66(47)22-13-37-11-20-65(21-12-37)41-15-24-68(25-16-41)60(80)73-56(76)52(53(57(73)77)48-33-62-51-8-4-7-19-71(48)51)46-35-69-26-27-70(59(79)67-17-5-3-6-18-67)34-39-28-40(61)30-44(46)54(39)69;1-20(2)25-18-26(29(39)19-28(25)38)30(32)37(31(33)40)24-3-4-27-22(17-24)10-16-36(27)15-9-21-7-13-35(14-8-21)23-5-11-34-12-6-23;30-28(40)37-26(38)23(24(27(37)39)21-14-32-22-6-2-5-9-36(21)22)20-16-34-10-11-35(29(41)33-7-3-1-4-8-33)15-17-12-18(31)13-19(20)25(17)34;29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h4,7-10,14,19,23,28-33,35-37,41,74-75H,3,5-6,11-13,15-18,20-22,24-27,34H2,1-2H3,(H,64,78);3-4,10,16-21,23,32,34,38-39H,5-9,11-15H2,1-2H3,(H2,33,40);2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2;2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)/b;32-30+;;
InChIKeyZDUHLSLUXRFHKL-FZCVOJNZSA-N
XLogP21.39
TPSA525.80 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds20
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002717.50
LogP ≤ 521.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione?
The IUPAC name of 1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione (CID 162092415) is 1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione is CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3CCC3CCN(C4CCN(C(=O)N5C(=O)C(c6cn7c8c(cc(F)cc68)CN(C(=O)N6CCCCC6)CC7)=C(c6cnc7ccccn67)C5=O)CC4)CC3)c2)c(O)cc1O.O=C(N1CCCCC1)N1CCn2cc(C3=C(c4cnc5ccccn45)C(=O)N(C(=O)Cl)C3=O)c3cc(F)cc(c32)C1.O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2.[H]/N=C(\c1cc(C(C)C)c(O)cc1O)N(C(N)=O)c1ccc2c(ccn2CCC2CCN(C3CCNCC3)CC2)c1.
What is the InChIKey of 1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione?
The InChIKey is ZDUHLSLUXRFHKL-FZCVOJNZSA-N. The full InChI is InChI=1S/C60H63FN12O7.C31H42N6O3.C29H24ClFN6O4.C28H25FN6O3/c1-36(2)43-31-45(50(75)32-49(43)74)55-63-64-58(78)72(55)42-9-10-47-38(29-42)14-23-66(47)22-13-37-11-20-65(21-12-37)41-15-24-68(25-16-41)60(80)73-56(76)52(53(57(73)77)48-33-62-51-8-4-7-19-71(48)51)46-35-69-26-27-70(59(79)67-17-5-3-6-18-67)34-39-28-40(61)30-44(46)54(39)69;1-20(2)25-18-26(29(39)19-28(25)38)30(32)37(31(33)40)24-3-4-27-22(17-24)10-16-36(27)15-9-21-7-13-35(14-8-21)23-5-11-34-12-6-23;30-28(40)37-26(38)23(24(27(37)39)21-14-32-22-6-2-5-9-36(21)22)20-16-34-10-11-35(29(41)33-7-3-1-4-8-33)15-17-12-18(31)13-19(20)25(17)34;29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h4,7-10,14,19,23,28-33,35-37,41,74-75H,3,5-6,11-13,15-18,20-22,24-27,34H2,1-2H3,(H,64,78);3-4,10,16-21,23,32,34,38-39H,5-9,11-15H2,1-2H3,(H2,33,40);2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2;2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)/b;32-30+;;.
What are the key properties of 1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione?
1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione has a molecular weight of 2717.50 g/mol, XLogP of 21.39, 20 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxy-5-propan-2-ylbenzenecarboximidoyl)-1-[1-[2-(1-piperidin-4-ylpiperidin-4-yl)ethyl]indol-5-yl]urea;1-[4-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]piperidine-1-carbonyl]-3-[6-fluoro-10-(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-ylpyrrole-2,5-dione;3-[6-fluoro-10-(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-2,5-dioxopyrrole-1-carbonyl chloride;3-[6-fluoro-10-(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-ylpyrrole-2,5-dione is sourced from PubChem (CID 162092415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).