About 4-[1-[2-[(5S)-2-[5-amino-6-(2-fluoro-4-methylbenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(5-fluoropyridine-2-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;6-[4-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperazin-1-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
4-[1-[2-[(5S)-2-[5-amino-6-(2-fluoro-4-methylbenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(5-fluoropyridine-2-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;6-[4-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperazin-1-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide (PubChem CID 159418153) has the molecular formula C138H159F2N41O10
and a molecular weight of 2590.06 g/mol. Its IUPAC name is 4-[1-[2-[(5S)-2-[5-amino-6-(2-fluoro-4-methylbenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(5-fluoropyridine-2-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;6-[4-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperazin-1-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide.
Frequently Asked Questions
What is the IUPAC name of 4-[1-[2-[(5S)-2-[5-amino-6-(2-fluoro-4-methylbenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(5-fluoropyridine-2-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;6-[4-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperazin-1-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide?
The IUPAC name of 4-[1-[2-[(5S)-2-[5-amino-6-(2-fluoro-4-methylbenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(5-fluoropyridine-2-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;6-[4-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperazin-1-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide (CID 159418153) is 4-[1-[2-[(5S)-2-[5-amino-6-(2-fluoro-4-methylbenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(5-fluoropyridine-2-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;6-[4-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperazin-1-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide.
What is the SMILES notation for 4-[1-[2-[(5S)-2-[5-amino-6-(2-fluoro-4-methylbenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(5-fluoropyridine-2-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;6-[4-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperazin-1-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide?
The canonical SMILES for 4-[1-[2-[(5S)-2-[5-amino-6-(2-fluoro-4-methylbenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(5-fluoropyridine-2-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;6-[4-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperazin-1-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide is [H]/N=C(\c1ccc(C)cc1F)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(F)cn1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC)nc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CCC(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC)nc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CCN(c5ccc(/C(N)=N/C=N/C)cn5)CC4)C3)C2=O)ccc1N.
What is the InChIKey of 4-[1-[2-[(5S)-2-[5-amino-6-(2-fluoro-4-methylbenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(5-fluoropyridine-2-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;6-[4-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperazin-1-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide?
The InChIKey is LPKSAYBPSOLZBC-NRWASVEKSA-N. The full InChI is InChI=1S/C36H40FN9O2.C35H42N10O3.C34H37FN10O2.C33H40N12O3/c1-23-3-8-27(28(37)19-23)32(39)33-29(38)9-10-30(43-33)46-18-14-36(35(46)48)13-17-44(21-36)20-31(47)45-15-11-25(12-16-45)24-4-6-26(7-5-24)34(40)42-22-41-2;1-39-22-41-33(38)25-5-3-23(4-6-25)24-11-15-44(16-12-24)30(46)20-43-17-13-35(21-43)14-18-45(34(35)47)28-9-8-27(36)32(42-28)31(37)26-7-10-29(48-2)40-19-26;1-39-21-41-32(38)24-4-2-22(3-5-24)23-10-14-44(15-11-23)29(46)19-43-16-12-34(20-43)13-17-45(33(34)47)28-9-7-26(36)31(42-28)30(37)27-8-6-25(35)18-40-27;1-37-21-40-31(36)23-3-6-25(38-18-23)43-13-15-44(16-14-43)28(46)19-42-11-9-33(20-42)10-12-45(32(33)47)26-7-5-24(34)30(41-26)29(35)22-4-8-27(48-2)39-17-22/h3-11,19,22,39H,12-18,20-21,38H2,1-2H3,(H2,40,41,42);3-10,19,22,24,37H,11-18,20-21,36H2,1-2H3,(H2,38,39,41);2-10,18,21,37H,11-17,19-20,36H2,1H3,(H2,38,39,41);3-8,17-18,21,35H,9-16,19-20,34H2,1-2H3,(H2,36,37,40)/b39-32+;37-31+;37-30+;35-29+/t36-;35-;34-;33-/m0000/s1.
What are the key properties of 4-[1-[2-[(5S)-2-[5-amino-6-(2-fluoro-4-methylbenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(5-fluoropyridine-2-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;6-[4-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperazin-1-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide?
4-[1-[2-[(5S)-2-[5-amino-6-(2-fluoro-4-methylbenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(5-fluoropyridine-2-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;6-[4-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperazin-1-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide has a molecular weight of 2590.06 g/mol, XLogP of 10.06, 34 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[(5S)-2-[5-amino-6-(2-fluoro-4-methylbenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(5-fluoropyridine-2-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;6-[4-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperazin-1-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(6-methoxypyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide is sourced from PubChem (CID 159418153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).