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-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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

C137H166Cl5N41O24S5 — CID 158815568

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-[2-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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.CN(CC1CCCO1)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)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)NCCC4=CCc5ccccc54)c2)CC3)nc1Cl
InChIInChI=1S/C31H33ClN8O4S.C28H35ClN8O6S.C27H34ClN9O5S.C26H33ClN8O5S.C25H31ClN8O4S/c32-26-28(34)38-27(33)25(37-26)29(41)36-24-10-12-31(39-24)13-16-40(17-14-31)30(42)21-5-3-6-22(18-21)45(43,44)35-15-11-20-9-8-19-4-1-2-7-23(19)20;1-2-43-27(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;1-34(15-17-5-3-13-40-17)41(38,39)18-6-2-4-16(14-18)25(37)35-11-9-26(10-12-35)8-7-19(33-26)30-24(36)20-22(28)32-23(29)21(27)31-20;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/h1-7,9,18,35H,8,10-17H2,(H4,33,34,38)(H,36,39,41);3,5,7,15,18H,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);2,4,6,14,17H,3,5,7-13,15H2,1H3,(H4,28,29,32)(H,30,33,36);3-4,7,14,16,33H,1-2,5-6,8-13H2,(H4,27,28,31)(H,29,32,35)
InChIKeyIVFKVXUKOOMLGT-UHFFFAOYSA-N
MW3108.70 g/mol
LogP10.04
Rot. Bonds29

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-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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-[2-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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 158815568) has the molecular formula C137H166Cl5N41O24S5 and a molecular weight of 3108.70 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-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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-[2-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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 CID158815568
Molecular FormulaC137H166Cl5N41O24S5
Molecular Weight3108.70 g/mol
Exact Mass3104.01
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-[2-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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.CN(CC1CCCO1)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)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)NCCC4=CCc5ccccc54)c2)CC3)nc1Cl
InChIInChI=1S/C31H33ClN8O4S.C28H35ClN8O6S.C27H34ClN9O5S.C26H33ClN8O5S.C25H31ClN8O4S/c32-26-28(34)38-27(33)25(37-26)29(41)36-24-10-12-31(39-24)13-16-40(17-14-31)30(42)21-5-3-6-22(18-21)45(43,44)35-15-11-20-9-8-19-4-1-2-7-23(19)20;1-2-43-27(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;1-34(15-17-5-3-13-40-17)41(38,39)18-6-2-4-16(14-18)25(37)35-11-9-26(10-12-35)8-7-19(33-26)30-24(36)20-22(28)32-23(29)21(27)31-20;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/h1-7,9,18,35H,8,10-17H2,(H4,33,34,38)(H,36,39,41);3,5,7,15,18H,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);2,4,6,14,17H,3,5,7-13,15H2,1H3,(H4,28,29,32)(H,30,33,36);3-4,7,14,16,33H,1-2,5-6,8-13H2,(H4,27,28,31)(H,29,32,35)
InChIKeyIVFKVXUKOOMLGT-UHFFFAOYSA-N
XLogP10.04
TPSA967.06 Ų
H-Bond Donors18
H-Bond Acceptors49
Rotatable Bonds29
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003108.70
LogP ≤ 510.04
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1049

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-[2-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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-[2-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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-[2-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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 158815568) 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-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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-[2-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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-[2-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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.CN(CC1CCCO1)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)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)NCCC4=CCc5ccccc54)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-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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 IVFKVXUKOOMLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClN8O4S.C28H35ClN8O6S.C27H34ClN9O5S.C26H33ClN8O5S.C25H31ClN8O4S/c32-26-28(34)38-27(33)25(37-26)29(41)36-24-10-12-31(39-24)13-16-40(17-14-31)30(42)21-5-3-6-22(18-21)45(43,44)35-15-11-20-9-8-19-4-1-2-7-23(19)20;1-2-43-27(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;1-34(15-17-5-3-13-40-17)41(38,39)18-6-2-4-16(14-18)25(37)35-11-9-26(10-12-35)8-7-19(33-26)30-24(36)20-22(28)32-23(29)21(27)31-20;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/h1-7,9,18,35H,8,10-17H2,(H4,33,34,38)(H,36,39,41);3,5,7,15,18H,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);2,4,6,14,17H,3,5,7-13,15H2,1H3,(H4,28,29,32)(H,30,33,36);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-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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-[2-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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 3108.70 g/mol, XLogP of 10.04, 29 rotatable bonds, 18 hydrogen bond donors, and 49 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-(3H-inden-1-yl)ethylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(oxolan-2-ylmethyl)sulfamoyl]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 158815568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).