About N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-methyl-1-(2-phenoxyethyl)indole
N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-methyl-1-(2-phenoxyethyl)indole (PubChem CID 158076665) has the molecular formula C159H188Cl6N52O17
and a molecular weight of 3312.32 g/mol. Its IUPAC name is N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-methyl-1-(2-phenoxyethyl)indole.
Frequently Asked Questions
What is the IUPAC name of N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-methyl-1-(2-phenoxyethyl)indole?
The IUPAC name of N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-methyl-1-(2-phenoxyethyl)indole (CID 158076665) is N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-methyl-1-(2-phenoxyethyl)indole.
What is the SMILES notation for N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-methyl-1-(2-phenoxyethyl)indole?
The canonical SMILES for N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-methyl-1-(2-phenoxyethyl)indole is CC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.CC(C)(C)OC(=O)c1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CC(C)CC(=O)Cc1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CC(C)CC(=O)Cc1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cn1.Cc1[nH]c2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc2c1C(C)C.Cc1ccc(CCn2ccc3c(C(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)cccc32)cc1.Cc1cccc2c1ccn2CCOc1ccccc1.
What is the InChIKey of N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-methyl-1-(2-phenoxyethyl)indole?
The InChIKey is FMLMNEDUTDCNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN9O2.C25H30ClN9O2.C25H31ClN8O3.C24H30ClN9O3.C24H29ClN8O4.C17H17NO.C14H19ClN8O2/c1-18-5-7-19(8-6-18)9-13-39-14-10-20-21(3-2-4-22(20)39)28(42)40-15-11-30(12-16-40)17-34-29(38-30)37-27(41)23-25(32)36-26(33)24(31)35-23;1-12(2)17-13(3)30-16-5-4-14(10-15(16)17)23(37)35-8-6-25(7-9-35)11-29-24(34-25)33-22(36)18-20(27)32-21(28)19(26)31-18;1-14(2)11-17(35)12-15-3-5-16(6-4-15)23(37)34-9-7-25(8-10-34)13-29-24(33-25)32-22(36)18-20(27)31-21(28)19(26)30-18;1-13(2)9-16(35)10-15-4-3-14(11-28-15)22(37)34-7-5-24(6-8-34)12-29-23(33-24)32-21(36)17-19(26)31-20(27)18(25)30-17;1-23(2,3)37-21(36)14-6-4-13(5-7-14)20(35)33-10-8-24(9-11-33)12-28-22(32-24)31-19(34)15-17(26)30-18(27)16(25)29-15;1-14-6-5-9-17-16(14)10-11-18(17)12-13-19-15-7-3-2-4-8-15;1-7(24)23-4-2-14(3-5-23)6-18-13(22-14)21-12(25)8-10(16)20-11(17)9(15)19-8/h2-8,10,14H,9,11-13,15-17H2,1H3,(H4,32,33,36)(H2,34,37,38,41);4-5,10,12,30H,6-9,11H2,1-3H3,(H4,27,28,32)(H2,29,33,34,36);3-6,14H,7-13H2,1-2H3,(H4,27,28,31)(H2,29,32,33,36);3-4,11,13H,5-10,12H2,1-2H3,(H4,26,27,31)(H2,29,32,33,36);4-7H,8-12H2,1-3H3,(H4,26,27,30)(H2,28,31,32,34);2-11H,12-13H2,1H3;2-6H2,1H3,(H4,16,17,20)(H2,18,21,22,25).
What are the key properties of N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-methyl-1-(2-phenoxyethyl)indole?
N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-methyl-1-(2-phenoxyethyl)indole has a molecular weight of 3312.32 g/mol, XLogP of 13.77, 28 rotatable bonds, 25 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-methyl-1-(2-phenoxyethyl)indole is sourced from PubChem (CID 158076665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).