About tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 158937505) has the molecular formula C112H140Cl5N41O10
and a molecular weight of 2397.89 g/mol. Its IUPAC name is tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 158937505) is tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is CC(C)(C)OC(=O)N1C2CCC1CC1(CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N1)C2.Nc1nc(N)c(C(=O)NC2=NCC3(CC4CCC(C3)N4C(=O)CCc3ccc(OCc4ccccc4)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CC4CCC(C3)N4C(=O)c3cccc4[nH]ccc34)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(CC4CCCCC4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(CCCc4ccccc4)CC3)N2)nc1Cl.
What is the InChIKey of tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is JJVHNTCVYXUVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN8O3.C23H24ClN9O2.C21H27ClN8O.C19H27ClN8O3.C19H29ClN8O/c31-25-27(33)36-26(32)24(35-25)28(41)37-29-34-17-30(38-29)14-20-9-10-21(15-30)39(20)23(40)13-8-18-6-11-22(12-7-18)42-16-19-4-2-1-3-5-19;24-17-19(26)30-18(25)16(29-17)20(34)31-22-28-10-23(32-22)8-11-4-5-12(9-23)33(11)21(35)14-2-1-3-15-13(14)6-7-27-15;22-16-18(24)27-17(23)15(26-16)19(31)28-20-25-13-21(29-20)8-11-30(12-9-21)10-4-7-14-5-2-1-3-6-14;1-18(2,3)31-17(30)28-9-4-5-10(28)7-19(6-9)8-23-16(27-19)26-15(29)11-13(21)25-14(22)12(20)24-11;20-14-16(22)25-15(21)13(24-14)17(29)26-18-23-11-19(27-18)6-8-28(9-7-19)10-12-4-2-1-3-5-12/h1-7,11-12,20-21H,8-10,13-17H2,(H4,32,33,36)(H2,34,37,38,41);1-3,6-7,11-12,27H,4-5,8-10H2,(H4,25,26,30)(H2,28,31,32,34);1-3,5-6H,4,7-13H2,(H4,23,24,27)(H2,25,28,29,31);9-10H,4-8H2,1-3H3,(H4,21,22,25)(H2,23,26,27,29);12H,1-11H2,(H4,21,22,25)(H2,23,26,27,29).
What are the key properties of tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 2397.89 g/mol, XLogP of 8.89, 18 rotatable bonds, 21 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 158937505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).