N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide

C26H36N8O4S — CID 154680872

IUPACN-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCS(=O)(=O)c1ccc(Nc2nc(N3CCCC(NC(=O)N4CCC5(CCNC5)CC4)C3)cnc2C(N)=O)cc1
InChIInChI=1S/C26H36N8O4S/c1-39(37,38)20-6-4-18(5-7-20)30-24-22(23(27)35)29-15-21(32-24)34-12-2-3-19(16-34)31-25(36)33-13-9-26(10-14-33)8-11-28-17-26/h4-7,15,19,28H,2-3,8-14,16-17H2,1H3,(H2,27,35)(H,30,32)(H,31,36)
InChIKeyQWCZJKBDURLPPQ-UHFFFAOYSA-N
MW556.69 g/mol
LogP1.48
Rot. Bonds6

About N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide

N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 154680872) has the molecular formula C26H36N8O4S and a molecular weight of 556.69 g/mol. Its IUPAC name is N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID154680872
Molecular FormulaC26H36N8O4S
Molecular Weight556.69 g/mol
Exact Mass556.26
IUPAC NameN-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCS(=O)(=O)c1ccc(Nc2nc(N3CCCC(NC(=O)N4CCC5(CCNC5)CC4)C3)cnc2C(N)=O)cc1
InChIInChI=1S/C26H36N8O4S/c1-39(37,38)20-6-4-18(5-7-20)30-24-22(23(27)35)29-15-21(32-24)34-12-2-3-19(16-34)31-25(36)33-13-9-26(10-14-33)8-11-28-17-26/h4-7,15,19,28H,2-3,8-14,16-17H2,1H3,(H2,27,35)(H,30,32)(H,31,36)
InChIKeyQWCZJKBDURLPPQ-UHFFFAOYSA-N
XLogP1.48
TPSA162.65 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.69
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

3-(4-methylsulfonylanilino)-5-[3-(phenylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 135362018
5-[(3R)-3-[2-methyl-2-(2-oxoethyl)hydrazinyl]piperidin-1-yl]-3-(4-methylsulfonylanilino)pyrazine-2-carboxamide
CID 174813382
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
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-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide
CID 123243171
[4-[[6-[(3R)-3-(3-azaspiro[5.5]undecane-9-carbonylamino)piperidin-1-yl]-3-carbamoylpyrazin-2-yl]amino]phenyl]methanesulfinate
CID 155060163
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
5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-[1-(dimethylcarbamoyl)-4-methylpiperidin-4-yl]anilino]pyrazine-2-carboxamide
CID 118115193
3-[4-(1-carbamoylcyclopropyl)anilino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114726
3-(4-cyclohexylanilino)-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115170
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 146484926
3-[4-(1-amino-2-methyl-1-oxopropan-2-yl)anilino]-5-[3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114795

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 154680872) is N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide is CS(=O)(=O)c1ccc(Nc2nc(N3CCCC(NC(=O)N4CCC5(CCNC5)CC4)C3)cnc2C(N)=O)cc1.
What is the InChIKey of N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is QWCZJKBDURLPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N8O4S/c1-39(37,38)20-6-4-18(5-7-20)30-24-22(23(27)35)29-15-21(32-24)34-12-2-3-19(16-34)31-25(36)33-13-9-26(10-14-33)8-11-28-17-26/h4-7,15,19,28H,2-3,8-14,16-17H2,1H3,(H2,27,35)(H,30,32)(H,31,36).
What are the key properties of N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
N-[1-[5-carbamoyl-6-(4-methylsulfonylanilino)pyrazin-2-yl]piperidin-3-yl]-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 556.69 g/mol, XLogP of 1.48, 6 rotatable bonds, 4 hydrogen bond donors, and 9 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]-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 154680872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).