3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

C153H166Cl8F6N62O22S2 — CID 157060006

IUPAC3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)CCc2cc(-c4ccccc4)no2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)COc4ccc(OC(F)(F)F)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccc(N5CCNC5=O)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(Oc5cccnc5)o4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4csc(-c5ccc(Cl)cc5)n4)CC3)N2)nc1Cl
InChIInChI=1S/C25H27ClN8O3.C23H27ClN10O3.C22H21Cl2N9O2S.C22H22ClN9O4.C21H22ClF3N8O4.C21H25ClN8O4S.C19H22ClF3N10O2/c26-21-23(28)31-22(27)20(30-21)24(36)29-18-8-9-25(32-18)10-12-34(13-11-25)19(35)7-6-16-14-17(33-37-16)15-4-2-1-3-5-15;24-17-19(26)30-18(25)16(29-17)20(36)31-21-28-12-23(32-21)5-8-33(9-6-23)15(35)11-13-1-3-14(4-2-13)34-10-7-27-22(34)37;23-12-3-1-11(2-4-12)19-28-13(9-36-19)20(35)33-7-5-22(6-8-33)10-27-21(32-22)31-18(34)14-16(25)30-17(26)15(24)29-14;23-16-18(25)29-17(24)15(28-16)19(33)30-21-27-11-22(31-21)5-8-32(9-6-22)20(34)13-3-4-14(36-13)35-12-2-1-7-26-10-12;22-15-17(27)30-16(26)14(29-15)18(35)31-19-28-10-20(32-19)5-7-33(8-6-20)13(34)9-36-11-1-3-12(4-2-11)37-21(23,24)25;1-35(33,34)13-4-2-12(3-5-13)10-14(31)30-8-6-21(7-9-30)11-25-20(29-21)28-19(32)15-17(23)27-18(24)16(22)26-15;1-9-6-10(19(21,22)23)31-33(9)7-11(34)32-4-2-18(3-5-32)8-26-17(30-18)29-16(35)12-14(24)28-15(25)13(20)27-12/h1-5,14H,6-13H2,(H4,27,28,31)(H,29,32,36);1-4H,5-12H2,(H,27,37)(H4,25,26,30)(H2,28,31,32,36);1-4,9H,5-8,10H2,(H4,25,26,30)(H2,27,31,32,34);1-4,7,10H,5-6,8-9,11H2,(H4,24,25,29)(H2,27,30,31,33);1-4H,5-10H2,(H4,26,27,30)(H2,28,31,32,35);2-5H,6-11H2,1H3,(H4,23,24,27)(H2,25,28,29,32);6H,2-5,7-8H2,1H3,(H4,24,25,28)(H2,26,29,30,35)
InChIKeyABFJXIOLBWRNIP-UHFFFAOYSA-N
MW3687.17 g/mol
LogP8.74
Rot. Bonds28

About 3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 157060006) has the molecular formula C153H166Cl8F6N62O22S2 and a molecular weight of 3687.17 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
PubChem CID157060006
Molecular FormulaC153H166Cl8F6N62O22S2
Molecular Weight3687.17 g/mol
Exact Mass3681.06
IUPAC Name3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)CCc2cc(-c4ccccc4)no2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)COc4ccc(OC(F)(F)F)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccc(N5CCNC5=O)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(Oc5cccnc5)o4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4csc(-c5ccc(Cl)cc5)n4)CC3)N2)nc1Cl
InChIInChI=1S/C25H27ClN8O3.C23H27ClN10O3.C22H21Cl2N9O2S.C22H22ClN9O4.C21H22ClF3N8O4.C21H25ClN8O4S.C19H22ClF3N10O2/c26-21-23(28)31-22(27)20(30-21)24(36)29-18-8-9-25(32-18)10-12-34(13-11-25)19(35)7-6-16-14-17(33-37-16)15-4-2-1-3-5-15;24-17-19(26)30-18(25)16(29-17)20(36)31-21-28-12-23(32-21)5-8-33(9-6-23)15(35)11-13-1-3-14(4-2-13)34-10-7-27-22(34)37;23-12-3-1-11(2-4-12)19-28-13(9-36-19)20(35)33-7-5-22(6-8-33)10-27-21(32-22)31-18(34)14-16(25)30-17(26)15(24)29-14;23-16-18(25)29-17(24)15(28-16)19(33)30-21-27-11-22(31-21)5-8-32(9-6-22)20(34)13-3-4-14(36-13)35-12-2-1-7-26-10-12;22-15-17(27)30-16(26)14(29-15)18(35)31-19-28-10-20(32-19)5-7-33(8-6-20)13(34)9-36-11-1-3-12(4-2-11)37-21(23,24)25;1-35(33,34)13-4-2-12(3-5-13)10-14(31)30-8-6-21(7-9-30)11-25-20(29-21)28-19(32)15-17(23)27-18(24)16(22)26-15;1-9-6-10(19(21,22)23)31-33(9)7-11(34)32-4-2-18(3-5-32)8-26-17(30-18)29-16(35)12-14(24)28-15(25)13(20)27-12/h1-5,14H,6-13H2,(H4,27,28,31)(H,29,32,36);1-4H,5-12H2,(H,27,37)(H4,25,26,30)(H2,28,31,32,36);1-4,9H,5-8,10H2,(H4,25,26,30)(H2,27,31,32,34);1-4,7,10H,5-6,8-9,11H2,(H4,24,25,29)(H2,27,30,31,33);1-4H,5-10H2,(H4,26,27,30)(H2,28,31,32,35);2-5H,6-11H2,1H3,(H4,23,24,27)(H2,25,28,29,32);6H,2-5,7-8H2,1H3,(H4,24,25,28)(H2,26,29,30,35)
InChIKeyABFJXIOLBWRNIP-UHFFFAOYSA-N
XLogP8.74
TPSA1226.25 Ų
H-Bond Donors28
H-Bond Acceptors69
Rotatable Bonds28
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003687.17
LogP ≤ 58.74
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1069

Analyze 3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 157060006) is 3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is CS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)CCc2cc(-c4ccccc4)no2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)COc4ccc(OC(F)(F)F)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccc(N5CCNC5=O)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(Oc5cccnc5)o4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4csc(-c5ccc(Cl)cc5)n4)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is ABFJXIOLBWRNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN8O3.C23H27ClN10O3.C22H21Cl2N9O2S.C22H22ClN9O4.C21H22ClF3N8O4.C21H25ClN8O4S.C19H22ClF3N10O2/c26-21-23(28)31-22(27)20(30-21)24(36)29-18-8-9-25(32-18)10-12-34(13-11-25)19(35)7-6-16-14-17(33-37-16)15-4-2-1-3-5-15;24-17-19(26)30-18(25)16(29-17)20(36)31-21-28-12-23(32-21)5-8-33(9-6-23)15(35)11-13-1-3-14(4-2-13)34-10-7-27-22(34)37;23-12-3-1-11(2-4-12)19-28-13(9-36-19)20(35)33-7-5-22(6-8-33)10-27-21(32-22)31-18(34)14-16(25)30-17(26)15(24)29-14;23-16-18(25)29-17(24)15(28-16)19(33)30-21-27-11-22(31-21)5-8-32(9-6-22)20(34)13-3-4-14(36-13)35-12-2-1-7-26-10-12;22-15-17(27)30-16(26)14(29-15)18(35)31-19-28-10-20(32-19)5-7-33(8-6-20)13(34)9-36-11-1-3-12(4-2-11)37-21(23,24)25;1-35(33,34)13-4-2-12(3-5-13)10-14(31)30-8-6-21(7-9-30)11-25-20(29-21)28-19(32)15-17(23)27-18(24)16(22)26-15;1-9-6-10(19(21,22)23)31-33(9)7-11(34)32-4-2-18(3-5-32)8-26-17(30-18)29-16(35)12-14(24)28-15(25)13(20)27-12/h1-5,14H,6-13H2,(H4,27,28,31)(H,29,32,36);1-4H,5-12H2,(H,27,37)(H4,25,26,30)(H2,28,31,32,36);1-4,9H,5-8,10H2,(H4,25,26,30)(H2,27,31,32,34);1-4,7,10H,5-6,8-9,11H2,(H4,24,25,29)(H2,27,30,31,33);1-4H,5-10H2,(H4,26,27,30)(H2,28,31,32,35);2-5H,6-11H2,1H3,(H4,23,24,27)(H2,25,28,29,32);6H,2-5,7-8H2,1H3,(H4,24,25,28)(H2,26,29,30,35).
What are the key properties of 3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 3687.17 g/mol, XLogP of 8.74, 28 rotatable bonds, 28 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylsulfonylphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(5-pyridin-3-yloxyfuran-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(trifluoromethoxy)phenoxy]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 157060006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).