About (5S)-2-[5-amino-6-(6-cyclobutyloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]-7-[3-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]but-3-en-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
(5S)-2-[5-amino-6-(6-cyclobutyloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]-7-[3-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]but-3-en-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 160705617) has the molecular formula C139H157FN42O10S4
and a molecular weight of 2723.33 g/mol. Its IUPAC name is (5S)-2-[5-amino-6-(6-cyclobutyloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]-7-[3-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]but-3-en-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one.
Frequently Asked Questions
What is the IUPAC name of (5S)-2-[5-amino-6-(6-cyclobutyloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]-7-[3-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]but-3-en-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S)-2-[5-amino-6-(6-cyclobutyloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]-7-[3-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]but-3-en-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 160705617) is (5S)-2-[5-amino-6-(6-cyclobutyloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]-7-[3-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]but-3-en-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S)-2-[5-amino-6-(6-cyclobutyloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]-7-[3-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]but-3-en-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S)-2-[5-amino-6-(6-cyclobutyloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]-7-[3-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]but-3-en-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one is [H]/N=C(\c1ccc(F)cc1)c1nc(N2CC[C@]3(CCN(C(C)C(=C)N4CC=C(c5ncc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)cc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ncc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)nc1)c1nc(N2CC[C@]3(CCN(C(C)C(=O)N4CC=C(c5ncc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC2CCC2)nc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ncc(-c6ncn(C)n6)s5)CC4)C3)C2=O)ccc1N.
What is the InChIKey of (5S)-2-[5-amino-6-(6-cyclobutyloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]-7-[3-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]but-3-en-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is RREKKHUPZQVYSO-ZPZJHLMTSA-N. The full InChI is InChI=1S/C35H39N11O3S.C35H41N11O3S.C35H40N10O3S.C34H37FN10OS/c1-43-21-40-32(42-43)26-18-39-33(50-26)22-9-13-45(14-10-22)29(47)19-44-15-11-35(20-44)12-16-46(34(35)48)27-7-6-25(36)31(41-27)30(37)23-5-8-28(38-17-23)49-24-3-2-4-24;1-21(2)49-28-8-5-24(17-38-28)29(37)30-25(36)6-7-27(41-30)46-16-12-35(34(46)48)11-15-45(19-35)22(3)33(47)44-13-9-23(10-14-44)32-39-18-26(50-32)31-40-20-43(4)42-31;1-22(2)48-25-6-4-23(5-7-25)30(37)31-26(36)8-9-28(40-31)45-17-13-35(34(45)47)12-16-43(20-35)19-29(46)44-14-10-24(11-15-44)33-38-18-27(49-33)32-39-21-42(3)41-32;1-21(43-14-10-24(11-15-43)32-38-18-27(47-32)31-39-20-42(3)41-31)22(2)44-16-12-34(19-44)13-17-45(33(34)46)28-9-8-26(36)30(40-28)29(37)23-4-6-25(35)7-5-23/h5-9,17-18,21,24,37H,2-4,10-16,19-20,36H2,1H3;5-9,17-18,20-22,37H,10-16,19,36H2,1-4H3;4-10,18,21-22,37H,11-17,19-20,36H2,1-3H3;4-10,18,20,22,37H,1,11-17,19,36H2,2-3H3/b37-30+;37-29+;37-30+;37-29+/t35-;22?,35-;35-;22?,34-/m0000/s1.
What are the key properties of (5S)-2-[5-amino-6-(6-cyclobutyloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]-7-[3-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]but-3-en-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one?
(5S)-2-[5-amino-6-(6-cyclobutyloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]-7-[3-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]but-3-en-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 2723.33 g/mol, XLogP of 15.51, 35 rotatable bonds, 8 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[5-amino-6-(6-cyclobutyloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]-7-[3-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]but-3-en-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[5-amino-6-(6-propan-2-yloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 160705617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).