tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione

C192H202N32O26 — CID 167689165

IUPACtert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
SMILESCC(C)(C)OC(=O)N1CCC(C)(n2cc(C(O)c3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ncc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC1(C(=O)N2CCC(C)(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CCC1.CC1(CN2CCC(C)(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CCC1.CC1(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CCN(C(=O)C23C4C5C6C4C2C6C53)CC1.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)cnc2c34)C(=O)N1
InChIInChI=1S/C35H33N5O4.C33H30N6O4.C32H35N5O4.C32H37N5O3.C31H35N5O6.C29H32N6O5/c1-34(9-11-38(12-10-34)33(44)35-28-25-24-26(28)30(35)27(24)29(25)35)39-15-16(14-36-39)13-17-5-6-20-23-18(17)3-2-4-19(23)32(43)40(20)21-7-8-22(41)37-31(21)42;40-20-5-4-19(30(41)36-20)39-29-21-17(2-1-3-18(21)31(39)42)15(12-34-29)10-14-11-35-38(13-14)16-6-8-37(9-7-16)32(43)33-26-23-22-24(26)28(33)25(22)27(23)33;1-31(11-4-12-31)30(41)35-15-13-32(2,14-16-35)36-19-20(18-33-36)17-21-7-8-24-27-22(21)5-3-6-23(27)29(40)37(24)25-9-10-26(38)34-28(25)39;1-31(11-4-12-31)20-35-15-13-32(2,14-16-35)36-19-21(18-33-36)17-22-7-8-25-28-23(22)5-3-6-24(28)30(40)37(25)26-9-10-27(38)34-29(26)39;1-30(2,3)42-29(41)34-14-12-31(4,13-15-34)35-17-18(16-32-35)26(38)20-8-9-22-25-19(20)6-5-7-21(25)28(40)36(22)23-10-11-24(37)33-27(23)39;1-29(2,3)40-28(39)33-11-9-18(10-12-33)34-16-17(14-31-34)13-21-19-5-4-6-20-25(19)23(15-30-21)35(27(20)38)22-7-8-24(36)32-26(22)37/h2-6,14-15,21,24-30H,7-13H2,1H3,(H,37,41,42);1-3,11-13,16,19,22-28H,4-10H2,(H,36,40,41);3,5-8,18-19,25H,4,9-17H2,1-2H3,(H,34,38,39);3,5-8,18-19,26H,4,9-17,20H2,1-2H3,(H,34,38,39);5-9,16-17,23,26,38H,10-15H2,1-4H3,(H,33,37,39);4-6,14-16,18,22H,7-13H2,1-3H3,(H,32,36,37)
InChIKeyWRAGPXKHBCNDJC-UHFFFAOYSA-N
MW3373.93 g/mol
LogP20.72
Rot. Bonds29

About tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione

tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (PubChem CID 167689165) has the molecular formula C192H202N32O26 and a molecular weight of 3373.93 g/mol. Its IUPAC name is tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Nametert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
PubChem CID167689165
Molecular FormulaC192H202N32O26
Molecular Weight3373.93 g/mol
Exact Mass3371.55
IUPAC Nametert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
SMILESCC(C)(C)OC(=O)N1CCC(C)(n2cc(C(O)c3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ncc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC1(C(=O)N2CCC(C)(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CCC1.CC1(CN2CCC(C)(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CCC1.CC1(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CCN(C(=O)C23C4C5C6C4C2C6C53)CC1.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)cnc2c34)C(=O)N1
InChIInChI=1S/C35H33N5O4.C33H30N6O4.C32H35N5O4.C32H37N5O3.C31H35N5O6.C29H32N6O5/c1-34(9-11-38(12-10-34)33(44)35-28-25-24-26(28)30(35)27(24)29(25)35)39-15-16(14-36-39)13-17-5-6-20-23-18(17)3-2-4-19(23)32(43)40(20)21-7-8-22(41)37-31(21)42;40-20-5-4-19(30(41)36-20)39-29-21-17(2-1-3-18(21)31(39)42)15(12-34-29)10-14-11-35-38(13-14)16-6-8-37(9-7-16)32(43)33-26-23-22-24(26)28(33)25(22)27(23)33;1-31(11-4-12-31)30(41)35-15-13-32(2,14-16-35)36-19-20(18-33-36)17-21-7-8-24-27-22(21)5-3-6-23(27)29(40)37(24)25-9-10-26(38)34-28(25)39;1-31(11-4-12-31)20-35-15-13-32(2,14-16-35)36-19-21(18-33-36)17-22-7-8-25-28-23(22)5-3-6-24(28)30(40)37(25)26-9-10-27(38)34-29(26)39;1-30(2,3)42-29(41)34-14-12-31(4,13-15-34)35-17-18(16-32-35)26(38)20-8-9-22-25-19(20)6-5-7-21(25)28(40)36(22)23-10-11-24(37)33-27(23)39;1-29(2,3)40-28(39)33-11-9-18(10-12-33)34-16-17(14-31-34)13-21-19-5-4-6-20-25(19)23(15-30-21)35(27(20)38)22-7-8-24(36)32-26(22)37/h2-6,14-15,21,24-30H,7-13H2,1H3,(H,37,41,42);1-3,11-13,16,19,22-28H,4-10H2,(H,36,40,41);3,5-8,18-19,25H,4,9-17H2,1-2H3,(H,34,38,39);3,5-8,18-19,26H,4,9-17,20H2,1-2H3,(H,34,38,39);5-9,16-17,23,26,38H,10-15H2,1-4H3,(H,33,37,39);4-6,14-16,18,22H,7-13H2,1-3H3,(H,32,36,37)
InChIKeyWRAGPXKHBCNDJC-UHFFFAOYSA-N
XLogP20.72
TPSA675.06 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds29
Heavy Atoms250
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003373.93
LogP ≤ 520.72
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The IUPAC name of tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (CID 167689165) is tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The canonical SMILES for tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is CC(C)(C)OC(=O)N1CCC(C)(n2cc(C(O)c3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ncc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC1(C(=O)N2CCC(C)(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CCC1.CC1(CN2CCC(C)(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CCC1.CC1(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CCN(C(=O)C23C4C5C6C4C2C6C53)CC1.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)cnc2c34)C(=O)N1.
What is the InChIKey of tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The InChIKey is WRAGPXKHBCNDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5O4.C33H30N6O4.C32H35N5O4.C32H37N5O3.C31H35N5O6.C29H32N6O5/c1-34(9-11-38(12-10-34)33(44)35-28-25-24-26(28)30(35)27(24)29(25)35)39-15-16(14-36-39)13-17-5-6-20-23-18(17)3-2-4-19(23)32(43)40(20)21-7-8-22(41)37-31(21)42;40-20-5-4-19(30(41)36-20)39-29-21-17(2-1-3-18(21)31(39)42)15(12-34-29)10-14-11-35-38(13-14)16-6-8-37(9-7-16)32(43)33-26-23-22-24(26)28(33)25(22)27(23)33;1-31(11-4-12-31)30(41)35-15-13-32(2,14-16-35)36-19-20(18-33-36)17-21-7-8-24-27-22(21)5-3-6-23(27)29(40)37(24)25-9-10-26(38)34-28(25)39;1-31(11-4-12-31)20-35-15-13-32(2,14-16-35)36-19-21(18-33-36)17-22-7-8-25-28-23(22)5-3-6-24(28)30(40)37(25)26-9-10-27(38)34-29(26)39;1-30(2,3)42-29(41)34-14-12-31(4,13-15-34)35-17-18(16-32-35)26(38)20-8-9-22-25-19(20)6-5-7-21(25)28(40)36(22)23-10-11-24(37)33-27(23)39;1-29(2,3)40-28(39)33-11-9-18(10-12-33)34-16-17(14-31-34)13-21-19-5-4-6-20-25(19)23(15-30-21)35(27(20)38)22-7-8-24(36)32-26(22)37/h2-6,14-15,21,24-30H,7-13H2,1H3,(H,37,41,42);1-3,11-13,16,19,22-28H,4-10H2,(H,36,40,41);3,5-8,18-19,25H,4,9-17H2,1-2H3,(H,34,38,39);3,5-8,18-19,26H,4,9-17,20H2,1-2H3,(H,34,38,39);5-9,16-17,23,26,38H,10-15H2,1-4H3,(H,33,37,39);4-6,14-16,18,22H,7-13H2,1-3H3,(H,32,36,37).
What are the key properties of tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione has a molecular weight of 3373.93 g/mol, XLogP of 20.72, 29 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[9-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 167689165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).