6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate

C86H92N12O20 — CID 159249690

IUPAC6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC[C@H]1n1c(=O)c2cc3c(=O)n(C4CCCC[C@H]4n4c(=O)c5cc6c(=O)n(C7CCCC[C@H]7NC(=O)OC(C)(C)C)c(=O)c6cc5c4=O)c(=O)c3cc2c1=O.NC1CCCC[C@H]1n1c(=O)c2cc3c(=O)n(C4CCCC[C@H]4n4c(=O)c5cc6c(=O)n(C7CCCC[C@H]7N)c(=O)c6cc5c4=O)c(=O)c3cc2c1=O
InChIInChI=1S/C48H54N6O12.C38H38N6O8/c1-47(2,3)65-45(63)49-31-13-7-9-15-33(31)51-37(55)23-19-27-28(20-24(23)38(51)56)42(60)53(41(27)59)35-17-11-12-18-36(35)54-43(61)29-21-25-26(22-30(29)44(54)62)40(58)52(39(25)57)34-16-10-8-14-32(34)50-46(64)66-48(4,5)6;39-25-7-1-3-9-27(25)41-31(45)17-13-21-22(14-18(17)32(41)46)36(50)43(35(21)49)29-11-5-6-12-30(29)44-37(51)23-15-19-20(16-24(23)38(44)52)34(48)42(33(19)47)28-10-4-2-8-26(28)40/h19-22,31-36H,7-18H2,1-6H3,(H,49,63)(H,50,64);13-16,25-30H,1-12,39-40H2/t31-,32?,33?,34-,35-,36?;25-,26?,27?,28-,29-,30?/m11/s1
InChIKeyKVCZPVQGHNXDQT-UGVJHOQJSA-N
MW1613.75 g/mol
LogP5.89
Rot. Bonds10

About 6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate

6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate (PubChem CID 159249690) has the molecular formula C86H92N12O20 and a molecular weight of 1613.75 g/mol. Its IUPAC name is 6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Name6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate
PubChem CID159249690
Molecular FormulaC86H92N12O20
Molecular Weight1613.75 g/mol
Exact Mass1612.66
IUPAC Name6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC[C@H]1n1c(=O)c2cc3c(=O)n(C4CCCC[C@H]4n4c(=O)c5cc6c(=O)n(C7CCCC[C@H]7NC(=O)OC(C)(C)C)c(=O)c6cc5c4=O)c(=O)c3cc2c1=O.NC1CCCC[C@H]1n1c(=O)c2cc3c(=O)n(C4CCCC[C@H]4n4c(=O)c5cc6c(=O)n(C7CCCC[C@H]7N)c(=O)c6cc5c4=O)c(=O)c3cc2c1=O
InChIInChI=1S/C48H54N6O12.C38H38N6O8/c1-47(2,3)65-45(63)49-31-13-7-9-15-33(31)51-37(55)23-19-27-28(20-24(23)38(51)56)42(60)53(41(27)59)35-17-11-12-18-36(35)54-43(61)29-21-25-26(22-30(29)44(54)62)40(58)52(39(25)57)34-16-10-8-14-32(34)50-46(64)66-48(4,5)6;39-25-7-1-3-9-27(25)41-31(45)17-13-21-22(14-18(17)32(41)46)36(50)43(35(21)49)29-11-5-6-12-30(29)44-37(51)23-15-19-20(16-24(23)38(44)52)34(48)42(33(19)47)28-10-4-2-8-26(28)40/h19-22,31-36H,7-18H2,1-6H3,(H,49,63)(H,50,64);13-16,25-30H,1-12,39-40H2/t31-,32?,33?,34-,35-,36?;25-,26?,27?,28-,29-,30?/m11/s1
InChIKeyKVCZPVQGHNXDQT-UGVJHOQJSA-N
XLogP5.89
TPSA441.26 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001613.75
LogP ≤ 55.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Analyze 6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate;(2R)-cyclohexane-1,2-diamine;6-[(2R)-2-(1,3,5,7-tetraoxofuro[3,4-f]isoindol-6-yl)cyclohexyl]furo[3,4-f]isoindole-1,3,5,7-tetrone
CID 161255444
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate
CID 168698667
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate
CID 163830103
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;(1S)-1-hydroxy-1-phenylpropan-2-one
CID 158308736
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate
CID 70952812
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate
CID 168716353

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate?
The IUPAC name of 6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate (CID 159249690) is 6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate.
What is the SMILES notation for 6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate?
The canonical SMILES for 6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCC[C@H]1n1c(=O)c2cc3c(=O)n(C4CCCC[C@H]4n4c(=O)c5cc6c(=O)n(C7CCCC[C@H]7NC(=O)OC(C)(C)C)c(=O)c6cc5c4=O)c(=O)c3cc2c1=O.NC1CCCC[C@H]1n1c(=O)c2cc3c(=O)n(C4CCCC[C@H]4n4c(=O)c5cc6c(=O)n(C7CCCC[C@H]7N)c(=O)c6cc5c4=O)c(=O)c3cc2c1=O.
What is the InChIKey of 6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate?
The InChIKey is KVCZPVQGHNXDQT-UGVJHOQJSA-N. The full InChI is InChI=1S/C48H54N6O12.C38H38N6O8/c1-47(2,3)65-45(63)49-31-13-7-9-15-33(31)51-37(55)23-19-27-28(20-24(23)38(51)56)42(60)53(41(27)59)35-17-11-12-18-36(35)54-43(61)29-21-25-26(22-30(29)44(54)62)40(58)52(39(25)57)34-16-10-8-14-32(34)50-46(64)66-48(4,5)6;39-25-7-1-3-9-27(25)41-31(45)17-13-21-22(14-18(17)32(41)46)36(50)43(35(21)49)29-11-5-6-12-30(29)44-37(51)23-15-19-20(16-24(23)38(44)52)34(48)42(33(19)47)28-10-4-2-8-26(28)40/h19-22,31-36H,7-18H2,1-6H3,(H,49,63)(H,50,64);13-16,25-30H,1-12,39-40H2/t31-,32?,33?,34-,35-,36?;25-,26?,27?,28-,29-,30?/m11/s1.
What are the key properties of 6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate?
6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate has a molecular weight of 1613.75 g/mol, XLogP of 5.89, 10 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate is sourced from PubChem (CID 159249690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).