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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate

C131H159Cl5N42O24S5 — CID 159976294

IUPACN-[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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate
SMILESCC(=O)N1CCC(NS(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)CC1.CCOC(=O)C1CCCN(S(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)C1.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
InChIInChI=1S/C28H35ClN8O6S.C27H34ClN9O5S.C26H28ClN9O4S.C25H31ClN8O5S.C25H31ClN8O4S/c1-2-43-27(40)18-6-4-12-37(16-18)44(41,42)19-7-3-5-17(15-19)26(39)36-13-10-28(11-14-36)9-8-20(35-28)32-25(38)21-23(30)34-24(31)22(29)33-21;1-16(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;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/h3,5,7,15,18H,2,4,6,8-14,16H2,1H3,(H4,30,31,34)(H,32,35,38);2-4,15,18,35H,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);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)
InChIKeyOFEXUOLENQKTLV-UHFFFAOYSA-N
MW3043.58 g/mol
LogP8.26
Rot. Bonds28

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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate

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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate (PubChem CID 159976294) has the molecular formula C131H159Cl5N42O24S5 and a molecular weight of 3043.58 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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound NameN-[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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate
PubChem CID159976294
Molecular FormulaC131H159Cl5N42O24S5
Molecular Weight3043.58 g/mol
Exact Mass3038.96
IUPAC NameN-[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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate
SMILESCC(=O)N1CCC(NS(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)CC1.CCOC(=O)C1CCCN(S(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)C1.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
InChIInChI=1S/C28H35ClN8O6S.C27H34ClN9O5S.C26H28ClN9O4S.C25H31ClN8O5S.C25H31ClN8O4S/c1-2-43-27(40)18-6-4-12-37(16-18)44(41,42)19-7-3-5-17(15-19)26(39)36-13-10-28(11-14-36)9-8-20(35-28)32-25(38)21-23(30)34-24(31)22(29)33-21;1-16(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;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/h3,5,7,15,18H,2,4,6,8-14,16H2,1H3,(H4,30,31,34)(H,32,35,38);2-4,15,18,35H,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);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)
InChIKeyOFEXUOLENQKTLV-UHFFFAOYSA-N
XLogP8.26
TPSA988.74 Ų
H-Bond Donors19
H-Bond Acceptors50
Rotatable Bonds28
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003043.58
LogP ≤ 58.26
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1050

Analyze 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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate with MolForge

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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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate?
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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate (CID 159976294) 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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate.
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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate?
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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate is CC(=O)N1CCC(NS(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)CC1.CCOC(=O)C1CCCN(S(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)C1.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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate?
The InChIKey is OFEXUOLENQKTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN8O6S.C27H34ClN9O5S.C26H28ClN9O4S.C25H31ClN8O5S.C25H31ClN8O4S/c1-2-43-27(40)18-6-4-12-37(16-18)44(41,42)19-7-3-5-17(15-19)26(39)36-13-10-28(11-14-36)9-8-20(35-28)32-25(38)21-23(30)34-24(31)22(29)33-21;1-16(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;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/h3,5,7,15,18H,2,4,6,8-14,16H2,1H3,(H4,30,31,34)(H,32,35,38);2-4,15,18,35H,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);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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate?
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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate has a molecular weight of 3043.58 g/mol, XLogP of 8.26, 28 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-(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;ethyl 1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 159976294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).