5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

C51H68N14O11S2 — CID 165034864

IUPAC5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC2C(C1)C2C(=O)O.CS(=O)(=O)c1ccc(Nc2nc(N3CCCC(N)C3)cnc2C(N)=O)cc1.CS(=O)(=O)c1ccc(Nc2nc(N3CCCC(NC(=O)C4C5CNCC54)C3)cnc2C(N)=O)cc1
InChIInChI=1S/C23H29N7O4S.C17H22N6O3S.C11H17NO4/c1-35(33,34)15-6-4-13(5-7-15)27-22-20(21(24)31)26-11-18(29-22)30-8-2-3-14(12-30)28-23(32)19-16-9-25-10-17(16)19;1-27(25,26)13-6-4-12(5-7-13)21-17-15(16(19)24)20-9-14(22-17)23-8-2-3-11(18)10-23;1-11(2,3)16-10(15)12-4-6-7(5-12)8(6)9(13)14/h4-7,11,14,16-17,19,25H,2-3,8-10,12H2,1H3,(H2,24,31)(H,27,29)(H,28,32);4-7,9,11H,2-3,8,10,18H2,1H3,(H2,19,24)(H,21,22);6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyNFNTYUWDNYSDAB-UHFFFAOYSA-N
MW1117.33 g/mol
LogP2.11
Rot. Bonds13

About 5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 165034864) has the molecular formula C51H68N14O11S2 and a molecular weight of 1117.33 g/mol. Its IUPAC name is 5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID165034864
Molecular FormulaC51H68N14O11S2
Molecular Weight1117.33 g/mol
Exact Mass1116.46
IUPAC Name5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC2C(C1)C2C(=O)O.CS(=O)(=O)c1ccc(Nc2nc(N3CCCC(N)C3)cnc2C(N)=O)cc1.CS(=O)(=O)c1ccc(Nc2nc(N3CCCC(NC(=O)C4C5CNCC54)C3)cnc2C(N)=O)cc1
InChIInChI=1S/C23H29N7O4S.C17H22N6O3S.C11H17NO4/c1-35(33,34)15-6-4-13(5-7-15)27-22-20(21(24)31)26-11-18(29-22)30-8-2-3-14(12-30)28-23(32)19-16-9-25-10-17(16)19;1-27(25,26)13-6-4-12(5-7-13)21-17-15(16(19)24)20-9-14(22-17)23-8-2-3-11(18)10-23;1-11(2,3)16-10(15)12-4-6-7(5-12)8(6)9(13)14/h4-7,11,14,16-17,19,25H,2-3,8-10,12H2,1H3,(H2,24,31)(H,27,29)(H,28,32);4-7,9,11H,2-3,8,10,18H2,1H3,(H2,19,24)(H,21,22);6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyNFNTYUWDNYSDAB-UHFFFAOYSA-N
XLogP2.11
TPSA370.55 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001117.33
LogP ≤ 52.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid with MolForge

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Related Compounds

3-(4-methylsulfonylanilino)-5-[3-(phenylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 135362018
N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 154680872
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
tert-butyl 7-[[1-[5-carbamoyl-6-(4-methylsulfinylanilino)pyrazin-2-yl]piperidin-3-yl]carbamoyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 155067050
5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide
CID 174813382
tert-butyl 4-[4-[[3-carbamoyl-6-[3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 118115760
5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide
CID 123243171
5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 123635494
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
5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 157187349
3-[4-(1-amino-2-methyl-1-oxopropan-2-yl)anilino]-5-[3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114795
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

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CID 165034864) is 5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is CC(C)(C)OC(=O)N1CC2C(C1)C2C(=O)O.CS(=O)(=O)c1ccc(Nc2nc(N3CCCC(N)C3)cnc2C(N)=O)cc1.CS(=O)(=O)c1ccc(Nc2nc(N3CCCC(NC(=O)C4C5CNCC54)C3)cnc2C(N)=O)cc1.
What is the InChIKey of 5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is NFNTYUWDNYSDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O4S.C17H22N6O3S.C11H17NO4/c1-35(33,34)15-6-4-13(5-7-15)27-22-20(21(24)31)26-11-18(29-22)30-8-2-3-14(12-30)28-23(32)19-16-9-25-10-17(16)19;1-27(25,26)13-6-4-12(5-7-13)21-17-15(16(19)24)20-9-14(22-17)23-8-2-3-11(18)10-23;1-11(2,3)16-10(15)12-4-6-7(5-12)8(6)9(13)14/h4-7,11,14,16-17,19,25H,2-3,8-10,12H2,1H3,(H2,24,31)(H,27,29)(H,28,32);4-7,9,11H,2-3,8,10,18H2,1H3,(H2,19,24)(H,21,22);6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 1117.33 g/mol, XLogP of 2.11, 13 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopiperidin-1-yl)-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide;N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 165034864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).