About 4-[1-[2-[(5S)-2-[4-amino-3-[3-ethynyl-4-(trifluoromethyl)benzenecarboximidoyl]phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(3-cyanobenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(4-ethynylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate
4-[1-[2-[(5S)-2-[4-amino-3-[3-ethynyl-4-(trifluoromethyl)benzenecarboximidoyl]phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(3-cyanobenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(4-ethynylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate (PubChem CID 158148649) has the molecular formula C152H160F3N31O15
and a molecular weight of 2718.15 g/mol. Its IUPAC name is 4-[1-[2-[(5S)-2-[4-amino-3-[3-ethynyl-4-(trifluoromethyl)benzenecarboximidoyl]phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(3-cyanobenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(4-ethynylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate.
Frequently Asked Questions
What is the IUPAC name of 4-[1-[2-[(5S)-2-[4-amino-3-[3-ethynyl-4-(trifluoromethyl)benzenecarboximidoyl]phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(3-cyanobenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(4-ethynylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate?
The IUPAC name of 4-[1-[2-[(5S)-2-[4-amino-3-[3-ethynyl-4-(trifluoromethyl)benzenecarboximidoyl]phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(3-cyanobenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(4-ethynylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate (CID 158148649) is 4-[1-[2-[(5S)-2-[4-amino-3-[3-ethynyl-4-(trifluoromethyl)benzenecarboximidoyl]phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(3-cyanobenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(4-ethynylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate.
What is the SMILES notation for 4-[1-[2-[(5S)-2-[4-amino-3-[3-ethynyl-4-(trifluoromethyl)benzenecarboximidoyl]phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(3-cyanobenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(4-ethynylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate?
The canonical SMILES for 4-[1-[2-[(5S)-2-[4-amino-3-[3-ethynyl-4-(trifluoromethyl)benzenecarboximidoyl]phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(3-cyanobenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(4-ethynylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate is [H]/N=C(\OC(=O)NC)c1ccc(C2=CCN(C(=O)CN3CC[C@]4(CCN(c5ccc(N)c(/C(=N/[H])c6ccc(C#C)cc6)c5)C4=O)C3)CC2)cc1.[H]/N=C(\OC(=O)NC)c1ccc(C2=CCN(C(=O)CN3CC[C@]4(CCN(c5ccc(N)c(/C(=N/[H])c6ccc(OC(C)C)nc6)c5)C4=O)C3)CC2)cc1.[H]/N=C(\OC(=O)NC)c1ccc(C2=CCN(C(=O)CN3CC[C@]4(CCN(c5ccc(N)c(/C(=N/[H])c6cccc(C#N)c6)c5)C4=O)C3)CC2)cc1.[H]/N=C(\c1ccc(C(F)(F)F)c(C#C)c1)c1cc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.
What is the InChIKey of 4-[1-[2-[(5S)-2-[4-amino-3-[3-ethynyl-4-(trifluoromethyl)benzenecarboximidoyl]phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(3-cyanobenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(4-ethynylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate?
The InChIKey is FUVDTVFKEOKSKK-SFEBUFGYSA-N. The full InChI is InChI=1S/C39H39F3N8O2.C38H44N8O5.C38H39N7O4.C37H38N8O4/c1-3-25-20-29(8-10-32(25)39(40,41)42)35(44)31-21-30(9-11-33(31)43)50-19-15-38(37(50)52)14-18-48(23-38)22-34(51)49-16-12-27(13-17-49)26-4-6-28(7-5-26)36(45)47-24-46-2;1-24(2)50-32-11-8-28(21-43-32)34(40)30-20-29(9-10-31(30)39)46-19-15-38(36(46)48)14-18-44(23-38)22-33(47)45-16-12-26(13-17-45)25-4-6-27(7-5-25)35(41)51-37(49)42-3;1-3-25-4-6-28(7-5-25)34(40)31-22-30(12-13-32(31)39)45-21-17-38(36(45)47)16-20-43(24-38)23-33(46)44-18-14-27(15-19-44)26-8-10-29(11-9-26)35(41)49-37(48)42-2;1-42-36(48)49-34(41)27-7-5-25(6-8-27)26-11-15-44(16-12-26)32(46)22-43-17-13-37(23-43)14-18-45(35(37)47)29-9-10-31(39)30(20-29)33(40)28-4-2-3-24(19-28)21-38/h1,4-12,20-21,24,44H,13-19,22-23,43H2,2H3,(H2,45,46,47);4-12,20-21,24,40-41H,13-19,22-23,39H2,1-3H3,(H,42,49);1,4-14,22,40-41H,15-21,23-24,39H2,2H3,(H,42,48);2-11,19-20,40-41H,12-18,22-23,39H2,1H3,(H,42,48)/b44-35+;2*40-34+,41-35-;40-33+,41-34-/t3*38-;37-/m0000/s1.
What are the key properties of 4-[1-[2-[(5S)-2-[4-amino-3-[3-ethynyl-4-(trifluoromethyl)benzenecarboximidoyl]phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(3-cyanobenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(4-ethynylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate?
4-[1-[2-[(5S)-2-[4-amino-3-[3-ethynyl-4-(trifluoromethyl)benzenecarboximidoyl]phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(3-cyanobenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(4-ethynylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate has a molecular weight of 2718.15 g/mol, XLogP of 17.16, 31 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[(5S)-2-[4-amino-3-[3-ethynyl-4-(trifluoromethyl)benzenecarboximidoyl]phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(3-cyanobenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(4-ethynylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate;methylcarbamoyl 4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]benzenecarboximidate is sourced from PubChem (CID 158148649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).