3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide

C25H32ClN9O5S — CID 58447493

IUPAC3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1
InChIInChI=1S/C25H32ClN9O5S/c1-33(2)18(36)14-34(3)41(39,40)16-6-4-5-15(13-16)24(38)35-11-9-25(10-12-35)8-7-17(32-25)29-23(37)19-21(27)31-22(28)20(26)30-19/h4-6,13H,7-12,14H2,1-3H3,(H4,27,28,31)(H,29,32,37)
InChIKeyLASGUJCGSDMWRO-UHFFFAOYSA-N
MW606.11 g/mol
LogP0.60
Rot. Bonds6

About 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (PubChem CID 58447493) has the molecular formula C25H32ClN9O5S and a molecular weight of 606.11 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
PubChem CID58447493
Molecular FormulaC25H32ClN9O5S
Molecular Weight606.11 g/mol
Exact Mass605.19
IUPAC Name3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1
InChIInChI=1S/C25H32ClN9O5S/c1-33(2)18(36)14-34(3)41(39,40)16-6-4-5-15(13-16)24(38)35-11-9-25(10-12-35)8-7-17(32-25)29-23(37)19-21(27)31-22(28)20(26)30-19/h4-6,13H,7-12,14H2,1-3H3,(H4,27,28,31)(H,29,32,37)
InChIKeyLASGUJCGSDMWRO-UHFFFAOYSA-N
XLogP0.60
TPSA197.28 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.11
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (CID 58447493) is 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is CN(C)C(=O)CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is LASGUJCGSDMWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN9O5S/c1-33(2)18(36)14-34(3)41(39,40)16-6-4-5-15(13-16)24(38)35-11-9-25(10-12-35)8-7-17(32-25)29-23(37)19-21(27)31-22(28)20(26)30-19/h4-6,13H,7-12,14H2,1-3H3,(H4,27,28,31)(H,29,32,37).
What are the key properties of 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 606.11 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 58447493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).