N-[8-[3-[(1-acetylpiperidin-4-yl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(cyclopentylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide

C128H157Cl5N42O24S5 — CID 157450062

About N-[8-[3-[(1-acetylpiperidin-4-yl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(cyclopentylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide

N-[8-[3-[(1-acetylpiperidin-4-yl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(cyclopentylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (PubChem CID 157450062) has the molecular formula C128H157Cl5N42O24S5 and a molecular weight of 3005.53 g/mol. Its IUPAC name is N-[8-[3-[(1-acetylpiperidin-4-yl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(cyclopentylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[8-[3-[(1-acetylpiperidin-4-yl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(cyclopentylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
• PubChem CID: 157450062
• Molecular Formula: C128H157Cl5N42O24S5
• Molecular Weight: 3005.53 g/mol
• Exact Mass: 3000.94
• IUPAC Name: N-[8-[3-[(1-acetylpiperidin-4-yl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(cyclopentylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
• SMILES: CC(=O)N1CCC(NS(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)CC1.COC(CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1)OC.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)NC4CCCC4)c2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)NCC4CCCO4)c2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)NCc4cccnc4)c2)CC3)nc1Cl
• InChI: InChI=1S/C27H34ClN9O5S.C26H28ClN9O4S.C25H33ClN8O6S.C25H31ClN8O5S.C25H31ClN8O4S/c1-16(38)36-11-6-18(7-12-36)35-43(41,42)19-4-2-3-17(15-19)26(40)37-13-9-27(10-14-37)8-5-20(34-27)31-25(39)21-23(29)33-24(30)22(28)32-21;27-21-23(29)34-22(28)20(33-21)24(37)32-19-6-7-26(35-19)8-11-36(12-9-26)25(38)17-4-1-5-18(13-17)41(39,40)31-15-16-3-2-10-30-14-16;1-33(14-18(39-2)40-3)41(37,38)16-6-4-5-15(13-16)24(36)34-11-9-25(10-12-34)8-7-17(32-25)29-23(35)19-21(27)31-22(28)20(26)30-19;26-20-22(28)32-21(27)19(31-20)23(35)30-18-6-7-25(33-18)8-10-34(11-9-25)24(36)15-3-1-5-17(13-15)40(37,38)29-14-16-4-2-12-39-16;26-20-22(28)31-21(27)19(30-20)23(35)29-18-8-9-25(32-18)10-12-34(13-11-25)24(36)15-4-3-7-17(14-15)39(37,38)33-16-5-1-2-6-16/h2-4,15,18,35H,5-14H2,1H3,(H4,29,30,33)(H,31,34,39);1-5,10,13-14,31H,6-9,11-12,15H2,(H4,28,29,34)(H,32,35,37);4-6,13,18H,7-12,14H2,1-3H3,(H4,27,28,31)(H,29,32,35);1,3,5,13,16,29H,2,4,6-12,14H2,(H4,27,28,32)(H,30,33,35);3-4,7,14,16,33H,1-2,5-6,8-13H2,(H4,27,28,31)(H,29,32,35)
• InChIKey: BSRSECSAFANJCM-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 980.90 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 50
• Rotatable Bonds: 30
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3005.53
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[8-[3-[(1-acetylpiperidin-4-yl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(cyclopentylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[8-[3-[(1-acetylpiperidin-4-yl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(cyclopentylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (CID 157450062) is N-[8-[3-[(1-acetylpiperidin-4-yl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(cyclopentylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[8-[3-[(1-acetylpiperidin-4-yl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(cyclopentylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[8-[3-[(1-acetylpiperidin-4-yl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(cyclopentylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is CC(=O)N1CCC(NS(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)CC1.COC(CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1)OC.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)NC4CCCC4)c2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)NCC4CCCO4)c2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)NCc4cccnc4)c2)CC3)nc1Cl.

What is the InChIKey of N-[8-[3-[(1-acetylpiperidin-4-yl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(cyclopentylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?

The InChIKey is BSRSECSAFANJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN9O5S.C26H28ClN9O4S.C25H33ClN8O6S.C25H31ClN8O5S.C25H31ClN8O4S/c1-16(38)36-11-6-18(7-12-36)35-43(41,42)19-4-2-3-17(15-19)26(40)37-13-9-27(10-14-37)8-5-20(34-27)31-25(39)21-23(29)33-24(30)22(28)32-21;27-21-23(29)34-22(28)20(33-21)24(37)32-19-6-7-26(35-19)8-11-36(12-9-26)25(38)17-4-1-5-18(13-17)41(39,40)31-15-16-3-2-10-30-14-16;1-33(14-18(39-2)40-3)41(37,38)16-6-4-5-15(13-16)24(36)34-11-9-25(10-12-34)8-7-17(32-25)29-23(35)19-21(27)31-22(28)20(26)30-19;26-20-22(28)32-21(27)19(31-20)23(35)30-18-6-7-25(33-18)8-10-34(11-9-25)24(36)15-3-1-5-17(13-15)40(37,38)29-14-16-4-2-12-39-16;26-20-22(28)31-21(27)19(30-20)23(35)29-18-8-9-25(32-18)10-12-34(13-11-25)24(36)15-4-3-7-17(14-15)39(37,38)33-16-5-1-2-6-16/h2-4,15,18,35H,5-14H2,1H3,(H4,29,30,33)(H,31,34,39);1-5,10,13-14,31H,6-9,11-12,15H2,(H4,28,29,34)(H,32,35,37);4-6,13,18H,7-12,14H2,1-3H3,(H4,27,28,31)(H,29,32,35);1,3,5,13,16,29H,2,4,6-12,14H2,(H4,27,28,32)(H,30,33,35);3-4,7,14,16,33H,1-2,5-6,8-13H2,(H4,27,28,31)(H,29,32,35).

What are the key properties of N-[8-[3-[(1-acetylpiperidin-4-yl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(cyclopentylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?

N-[8-[3-[(1-acetylpiperidin-4-yl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(cyclopentylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 3005.53 g/mol, XLogP of 7.54, 30 rotatable bonds, 19 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-[3-[(1-acetylpiperidin-4-yl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(cyclopentylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 157450062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).