N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde

C76H82N18O17S2 — CID 165024143

IUPACN-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde
SMILESCS(=O)(=O)c1ccc(Nc2nc(N3CCCC(NC(=O)C4CC5(C4)CN(Cc4ccc6c(c4)C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)C3)cnc2C(N)=O)cc1.CS(=O)(=O)c1ccc(Nc2nc(N3CCCC(NC(=O)C4CC5(CNC5)C4)C3)cnc2C(N)=O)cc1.O=Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C38H41N9O8S.C24H31N7O4S.C14H10N2O5/c1-56(54,55)25-7-5-23(6-8-25)41-33-31(32(39)49)40-16-29(43-33)46-12-2-3-24(18-46)42-34(50)22-14-38(15-22)19-45(20-38)17-21-4-9-26-27(13-21)37(53)47(36(26)52)28-10-11-30(48)44-35(28)51;1-36(34,35)18-6-4-16(5-7-18)28-22-20(21(25)32)27-11-19(30-22)31-8-2-3-17(12-31)29-23(33)15-9-24(10-15)13-26-14-24;17-6-7-1-2-8-9(5-7)14(21)16(13(8)20)10-3-4-11(18)15-12(10)19/h4-9,13,16,22,24,28H,2-3,10-12,14-15,17-20H2,1H3,(H2,39,49)(H,41,43)(H,42,50)(H,44,48,51);4-7,11,15,17,26H,2-3,8-10,12-14H2,1H3,(H2,25,32)(H,28,30)(H,29,33);1-2,5-6,10H,3-4H2,(H,15,18,19)
InChIKeyLPSRXQPCPOQPME-UHFFFAOYSA-N
MW1583.73 g/mol
LogP1.83
Rot. Bonds19

About N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde

N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde (PubChem CID 165024143) has the molecular formula C76H82N18O17S2 and a molecular weight of 1583.73 g/mol. Its IUPAC name is N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde.

Molecular Properties

Compound NameN-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde
PubChem CID165024143
Molecular FormulaC76H82N18O17S2
Molecular Weight1583.73 g/mol
Exact Mass1582.55
IUPAC NameN-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde
SMILESCS(=O)(=O)c1ccc(Nc2nc(N3CCCC(NC(=O)C4CC5(C4)CN(Cc4ccc6c(c4)C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)C3)cnc2C(N)=O)cc1.CS(=O)(=O)c1ccc(Nc2nc(N3CCCC(NC(=O)C4CC5(CNC5)C4)C3)cnc2C(N)=O)cc1.O=Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C38H41N9O8S.C24H31N7O4S.C14H10N2O5/c1-56(54,55)25-7-5-23(6-8-25)41-33-31(32(39)49)40-16-29(43-33)46-12-2-3-24(18-46)42-34(50)22-14-38(15-22)19-45(20-38)17-21-4-9-26-27(13-21)37(53)47(36(26)52)28-10-11-30(48)44-35(28)51;1-36(34,35)18-6-4-16(5-7-18)28-22-20(21(25)32)27-11-19(30-22)31-8-2-3-17(12-31)29-23(33)15-9-24(10-15)13-26-14-24;17-6-7-1-2-8-9(5-7)14(21)16(13(8)20)10-3-4-11(18)15-12(10)19/h4-9,13,16,22,24,28H,2-3,10-12,14-15,17-20H2,1H3,(H2,39,49)(H,41,43)(H,42,50)(H,44,48,51);4-7,11,15,17,26H,2-3,8-10,12-14H2,1H3,(H2,25,32)(H,28,30)(H,29,33);1-2,5-6,10H,3-4H2,(H,15,18,19)
InChIKeyLPSRXQPCPOQPME-UHFFFAOYSA-N
XLogP1.83
TPSA494.20 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001583.73
LogP ≤ 51.83
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde with MolForge

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Related Compounds

5-[(3R)-3-[[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide
CID 155067103
N-[(3R)-1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 154680985
N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde
CID 164996264
5-[3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide
CID 155067205
N-[(3R)-1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 175722049
5-[(3R)-3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]azetidine-3-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide
CID 165032388
5-[(3R)-3-[[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(4-methylsulfonylphenyl)methyl]pyrazine-2-carboxamide
CID 164970909
3-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]anilino]-5-[(3R)-3-[2-[formyl(methyl)amino]ethyl-methylamino]piperidin-1-yl]pyrazine-2-carboxamide
CID 156551040
3-[4-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 170024647
3-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 156551044
3-[4-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]azetidin-3-yl]piperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 146559030
5-[(3R)-3-[4-carbamoyl-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidin-2-yl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide
CID 164762654

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde?
The IUPAC name of N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde (CID 165024143) is N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde.
What is the SMILES notation for N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde?
The canonical SMILES for N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde is CS(=O)(=O)c1ccc(Nc2nc(N3CCCC(NC(=O)C4CC5(C4)CN(Cc4ccc6c(c4)C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)C3)cnc2C(N)=O)cc1.CS(=O)(=O)c1ccc(Nc2nc(N3CCCC(NC(=O)C4CC5(CNC5)C4)C3)cnc2C(N)=O)cc1.O=Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde?
The InChIKey is LPSRXQPCPOQPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41N9O8S.C24H31N7O4S.C14H10N2O5/c1-56(54,55)25-7-5-23(6-8-25)41-33-31(32(39)49)40-16-29(43-33)46-12-2-3-24(18-46)42-34(50)22-14-38(15-22)19-45(20-38)17-21-4-9-26-27(13-21)37(53)47(36(26)52)28-10-11-30(48)44-35(28)51;1-36(34,35)18-6-4-16(5-7-18)28-22-20(21(25)32)27-11-19(30-22)31-8-2-3-17(12-31)29-23(33)15-9-24(10-15)13-26-14-24;17-6-7-1-2-8-9(5-7)14(21)16(13(8)20)10-3-4-11(18)15-12(10)19/h4-9,13,16,22,24,28H,2-3,10-12,14-15,17-20H2,1H3,(H2,39,49)(H,41,43)(H,42,50)(H,44,48,51);4-7,11,15,17,26H,2-3,8-10,12-14H2,1H3,(H2,25,32)(H,28,30)(H,29,33);1-2,5-6,10H,3-4H2,(H,15,18,19).
What are the key properties of N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde?
N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde has a molecular weight of 1583.73 g/mol, XLogP of 1.83, 19 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde is sourced from PubChem (CID 165024143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).