About (3S,4R)-4-[2-[3-(aminomethyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-4-cyclopropyl-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[3-ethyl-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-ylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;methane;sulfur dioxide
(3S,4R)-4-[2-[3-(aminomethyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-4-cyclopropyl-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[3-ethyl-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-ylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;methane;sulfur dioxide (PubChem CID 157365736) has the molecular formula C162H185F5N6O13S
and a molecular weight of 2551.35 g/mol. Its IUPAC name is (3S,4R)-4-[2-[3-(aminomethyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-4-cyclopropyl-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[3-ethyl-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-ylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;methane;sulfur dioxide.
Frequently Asked Questions
What is the IUPAC name of (3S,4R)-4-[2-[3-(aminomethyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-4-cyclopropyl-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[3-ethyl-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-ylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;methane;sulfur dioxide?
The IUPAC name of (3S,4R)-4-[2-[3-(aminomethyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-4-cyclopropyl-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[3-ethyl-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-ylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;methane;sulfur dioxide (CID 157365736) is (3S,4R)-4-[2-[3-(aminomethyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-4-cyclopropyl-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[3-ethyl-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-ylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;methane;sulfur dioxide.
What is the SMILES notation for (3S,4R)-4-[2-[3-(aminomethyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-4-cyclopropyl-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[3-ethyl-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-ylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;methane;sulfur dioxide?
The canonical SMILES for (3S,4R)-4-[2-[3-(aminomethyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-4-cyclopropyl-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[3-ethyl-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-ylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;methane;sulfur dioxide is C.CC(=O)[C@@H](C)[C@H](c1ccc2c(c1)OC(c1ccc(-c3cc(C)ncc3F)c(C(C)C)c1)CC2)C1CC1.CC(=O)[C@@H](C)[C@H](c1ccc2c(c1)OC(c1ccc(-c3cc(C)ncc3F)c(CN3CC[C@@H](C)C3)c1)CC2)C1CC1.CCCc1cc(C2CCc3ccc([C@H](C4CC4)[C@H](C)C(C)=O)cc3O2)ccc1-c1cc(C)ncc1F.CCc1cc(C2CCc3ccc([C@H](C4CC4)[C@H](C)C(C)=O)cc3O2)ccc1-c1cc(C)ncc1F.COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(C)=O)cc4O3)cc2CN)c1.O=S=O.
What is the InChIKey of (3S,4R)-4-[2-[3-(aminomethyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-4-cyclopropyl-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[3-ethyl-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-ylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;methane;sulfur dioxide?
The InChIKey is BJDQZEUPCSBQEN-PAGKIIHYSA-N. The full InChI is InChI=1S/C35H41FN2O2.2C32H36FNO2.C31H34FNO3.C31H34FNO2.CH4.O2S/c1-21-13-14-38(19-21)20-29-16-27(9-11-30(29)31-15-22(2)37-18-32(31)36)33-12-10-25-5-8-28(17-34(25)40-33)35(26-6-7-26)23(3)24(4)39;1-18(2)27-15-24(10-12-26(27)28-14-19(3)34-17-29(28)33)30-13-11-22-6-9-25(16-31(22)36-30)32(23-7-8-23)20(4)21(5)35;1-5-6-24-16-25(11-13-27(24)28-15-19(2)34-18-29(28)33)30-14-12-22-7-10-26(17-31(22)36-30)32(23-8-9-23)20(3)21(4)35;1-18(19(2)34)31(21-5-6-21)23-7-4-20-9-13-29(36-30(20)15-23)22-8-11-26(24(14-22)17-33)27-16-25(35-3)10-12-28(27)32;1-5-21-15-24(10-12-26(21)27-14-18(2)33-17-28(27)32)29-13-11-22-6-9-25(16-30(22)35-29)31(23-7-8-23)19(3)20(4)34;;1-3-2/h5,8-9,11,15-18,21,23,26,33,35H,6-7,10,12-14,19-20H2,1-4H3;6,9-10,12,14-18,20,23,30,32H,7-8,11,13H2,1-5H3;7,10-11,13,15-18,20,23,30,32H,5-6,8-9,12,14H2,1-4H3;4,7-8,10-12,14-16,18,21,29,31H,5-6,9,13,17,33H2,1-3H3;6,9-10,12,14-17,19,23,29,31H,5,7-8,11,13H2,1-4H3;1H4;/t21-,23-,33?,35+;2*20-,30?,32+;18-,29?,31+;19-,29?,31+;;/m11111../s1.
What are the key properties of (3S,4R)-4-[2-[3-(aminomethyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-4-cyclopropyl-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[3-ethyl-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-ylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;methane;sulfur dioxide?
(3S,4R)-4-[2-[3-(aminomethyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-4-cyclopropyl-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[3-ethyl-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-ylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;methane;sulfur dioxide has a molecular weight of 2551.35 g/mol, XLogP of 38.12, 38 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[2-[3-(aminomethyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-4-cyclopropyl-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[3-ethyl-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-ylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)-3-propylphenyl]-3,4-dihydro-2H-chromen-7-yl]-3-methylbutan-2-one;methane;sulfur dioxide is sourced from PubChem (CID 157365736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).