About 3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-[4-(1-fluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-[4-(1-fluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 159013518) has the molecular formula C135H126F3N37O16
and a molecular weight of 2579.73 g/mol. Its IUPAC name is 3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-[4-(1-fluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one.
Frequently Asked Questions
What is the IUPAC name of 3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-[4-(1-fluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-[4-(1-fluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one (CID 159013518) is 3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-[4-(1-fluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-[4-(1-fluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-[4-(1-fluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one is Cc1cccc(N2C[C@@H]3C(c4noc(Cn5cnc6nccc(C)c6c5=O)n4)[C@@H]3C2)c1.Cc1ccnc2ncn(Cc3nc(C4CC(O)(c5ccc(OC(C)(F)F)cc5)C4)no3)c(=O)c12.Cc1ccnc2ncn(Cc3nc(C4CC(O)(c5ccc(OC(C)F)cc5)C4)no3)c(=O)c12.Cc1ccnc2ncn(Cc3nc(C4[C@H]5CN(c6ccccc6)C[C@@H]45)no3)c(=O)c12.Cc1cncc2ncn(Cc3nc(C4[C@H]5CN(c6ccccc6)C[C@@H]45)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccc7c(cnn7C)c6)C[C@@H]45)no3)c(=O)c21.
What is the InChIKey of 3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-[4-(1-fluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is JSUIFEYGBPIOBM-SODWBAONSA-N. The full InChI is InChI=1S/C23H21F2N5O4.C23H22FN5O4.C23H22N6O2.C22H21N9O2.2C22H20N6O2/c1-13-7-8-26-20-18(13)21(31)30(12-27-20)11-17-28-19(29-34-17)14-9-23(32,10-14)15-3-5-16(6-4-15)33-22(2,24)25;1-13-7-8-25-21-19(13)22(30)29(12-26-21)11-18-27-20(28-33-18)15-9-23(31,10-15)16-3-5-17(6-4-16)32-14(2)24;1-13-4-3-5-15(8-13)28-9-16-17(10-28)20(16)22-26-18(31-27-22)11-29-12-25-21-19(23(29)30)14(2)6-7-24-21;1-28-10-23-21-19(28)22(32)31(11-24-21)9-17-26-20(27-33-17)18-14-7-30(8-15(14)18)13-3-4-16-12(5-13)6-25-29(16)2;1-13-7-23-8-17-19(13)22(29)28(12-24-17)11-18-25-21(26-30-18)20-15-9-27(10-16(15)20)14-5-3-2-4-6-14;1-13-7-8-23-20-18(13)22(29)28(12-24-20)11-17-25-21(26-30-17)19-15-9-27(10-16(15)19)14-5-3-2-4-6-14/h3-8,12,14,32H,9-11H2,1-2H3;3-8,12,14-15,31H,9-11H2,1-2H3;3-8,12,16-17,20H,9-11H2,1-2H3;3-6,10-11,14-15,18H,7-9H2,1-2H3;2-8,12,15-16,20H,9-11H2,1H3;2-8,12,15-16,19H,9-11H2,1H3/t;;16-,17+,20?;14-,15+,18?;15-,16+,20?;15-,16+,19?.
What are the key properties of 3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-[4-(1-fluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-[4-(1-fluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 2579.73 g/mol, XLogP of 15.03, 28 rotatable bonds, 2 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-[4-(1-fluoroethoxy)phenyl]-3-hydroxycyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(1R,5S)-3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 159013518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).