potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid

C68H76KN11O11 — CID 159178882

IUPACpotassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid
SMILESC.NCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(CCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CCc1ccc2c(c1)[nH]c1ccncc12.O=C(O)CCc1ccc2c(c1)[nH]c1ccncc12.[H-].[K+]
InChIInChI=1S/C34H35N5O5.C19H24N4O4.C14H12N2O2.CH4.K.H/c40-22(12-10-21-11-13-23-25-20-35-18-16-26(25)37-28(23)19-21)7-4-2-1-3-5-17-36-27-9-6-8-24-31(27)34(44)39(33(24)43)29-14-15-30(41)38-32(29)42;20-10-3-1-2-4-11-21-13-7-5-6-12-16(13)19(27)23(18(12)26)14-8-9-15(24)22-17(14)25;17-14(18)4-2-9-1-3-10-11-8-15-6-5-12(11)16-13(10)7-9;;;/h6,8-9,11,13,16,18-20,29,36-37H,1-5,7,10,12,14-15,17H2,(H,38,41,42);5-7,14,21H,1-4,8-11,20H2,(H,22,24,25);1,3,5-8,16H,2,4H2,(H,17,18);1H4;;/q;;;;+1;-1
InChIKeyFJHLVUPKARTOCV-UHFFFAOYSA-N
MW1262.52 g/mol
LogP6.58
Rot. Bonds24

About potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid

potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid (PubChem CID 159178882) has the molecular formula C68H76KN11O11 and a molecular weight of 1262.52 g/mol. Its IUPAC name is potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid.

Molecular Properties

Compound Namepotassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid
PubChem CID159178882
Molecular FormulaC68H76KN11O11
Molecular Weight1262.52 g/mol
Exact Mass1261.54
IUPAC Namepotassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid
SMILESC.NCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(CCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CCc1ccc2c(c1)[nH]c1ccncc12.O=C(O)CCc1ccc2c(c1)[nH]c1ccncc12.[H-].[K+]
InChIInChI=1S/C34H35N5O5.C19H24N4O4.C14H12N2O2.CH4.K.H/c40-22(12-10-21-11-13-23-25-20-35-18-16-26(25)37-28(23)19-21)7-4-2-1-3-5-17-36-27-9-6-8-24-31(27)34(44)39(33(24)43)29-14-15-30(41)38-32(29)42;20-10-3-1-2-4-11-21-13-7-5-6-12-16(13)19(27)23(18(12)26)14-8-9-15(24)22-17(14)25;17-14(18)4-2-9-1-3-10-11-8-15-6-5-12(11)16-13(10)7-9;;;/h6,8-9,11,13,16,18-20,29,36-37H,1-5,7,10,12,14-15,17H2,(H,38,41,42);5-7,14,21H,1-4,8-11,20H2,(H,22,24,25);1,3,5-8,16H,2,4H2,(H,17,18);1H4;;/q;;;;+1;-1
InChIKeyFJHLVUPKARTOCV-UHFFFAOYSA-N
XLogP6.58
TPSA328.91 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms91
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001262.52
LogP ≤ 56.58
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid?
The IUPAC name of potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid (CID 159178882) is potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid.
What is the SMILES notation for potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid?
The canonical SMILES for potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid is C.NCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(CCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CCc1ccc2c(c1)[nH]c1ccncc12.O=C(O)CCc1ccc2c(c1)[nH]c1ccncc12.[H-].[K+].
What is the InChIKey of potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid?
The InChIKey is FJHLVUPKARTOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N5O5.C19H24N4O4.C14H12N2O2.CH4.K.H/c40-22(12-10-21-11-13-23-25-20-35-18-16-26(25)37-28(23)19-21)7-4-2-1-3-5-17-36-27-9-6-8-24-31(27)34(44)39(33(24)43)29-14-15-30(41)38-32(29)42;20-10-3-1-2-4-11-21-13-7-5-6-12-16(13)19(27)23(18(12)26)14-8-9-15(24)22-17(14)25;17-14(18)4-2-9-1-3-10-11-8-15-6-5-12(11)16-13(10)7-9;;;/h6,8-9,11,13,16,18-20,29,36-37H,1-5,7,10,12,14-15,17H2,(H,38,41,42);5-7,14,21H,1-4,8-11,20H2,(H,22,24,25);1,3,5-8,16H,2,4H2,(H,17,18);1H4;;/q;;;;+1;-1.
What are the key properties of potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid?
potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid has a molecular weight of 1262.52 g/mol, XLogP of 6.58, 24 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid is sourced from PubChem (CID 159178882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).