About 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[6-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[6-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 161490786) has the molecular formula C178H202F9N31O18
and a molecular weight of 3234.75 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[6-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
Frequently Asked Questions
What is the IUPAC name of 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[6-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[6-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 161490786) is 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[6-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[6-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[6-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is COCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3ccc(CCCN4CCCC4)nc3)cc1)C(=O)C2.COCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3cccc(CN4CCCC4)c3)c(C(F)(F)F)c1)C(=O)C2.Nc1nc(OCC2CCOCC2)nc2c1CC(=O)N2Cc1ccc(-c2ccc(CN3CCCC3)cc2)c(C(F)(F)F)c1.Nc1nc(OCC2CCOCC2)nc2c1CC(=O)N2Cc1ccc(-c2ccc(CN3CCCC3)cc2)cc1.Nc1nc(OCC2CCOCC2)nc2c1CC(=O)N2Cc1ccc(-c2cccc(CN3CCCC3)c2)c(C(F)(F)F)c1.Nc1nc(OCC2CCOCC2)nc2c1CC(=O)N2Cc1ccc(-c2cccc(CN3CCCC3)c2)cc1.
What is the InChIKey of 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[6-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is WFOQATBQRZLVER-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H34F3N5O3.2C30H35N5O3.C28H30F3N5O3.C28H34N6O3/c32-31(33,34)26-15-22(5-8-24(26)23-6-3-20(4-7-23)17-38-11-1-2-12-38)18-39-27(40)16-25-28(35)36-30(37-29(25)39)42-19-21-9-13-41-14-10-21;32-31(33,34)26-15-22(6-7-24(26)23-5-3-4-21(14-23)17-38-10-1-2-11-38)18-39-27(40)16-25-28(35)36-30(37-29(25)39)42-19-20-8-12-41-13-9-20;31-28-26-17-27(36)35(29(26)33-30(32-28)38-20-23-11-15-37-16-12-23)19-22-5-9-25(10-6-22)24-7-3-21(4-8-24)18-34-13-1-2-14-34;31-28-26-17-27(36)35(29(26)33-30(32-28)38-20-22-10-14-37-15-11-22)19-21-6-8-24(9-7-21)25-5-3-4-23(16-25)18-34-12-1-2-13-34;1-38-11-12-39-27-33-25(32)22-15-24(37)36(26(22)34-27)17-19-7-8-21(23(14-19)28(29,30)31)20-6-4-5-18(13-20)16-35-9-2-3-10-35;1-36-15-16-37-28-31-26(29)24-17-25(35)34(27(24)32-28)19-20-6-8-21(9-7-20)22-10-11-23(30-18-22)5-4-14-33-12-2-3-13-33/h3-8,15,21H,1-2,9-14,16-19H2,(H2,35,36,37);3-7,14-15,20H,1-2,8-13,16-19H2,(H2,35,36,37);3-10,23H,1-2,11-20H2,(H2,31,32,33);3-9,16,22H,1-2,10-15,17-20H2,(H2,31,32,33);4-8,13-14H,2-3,9-12,15-17H2,1H3,(H2,32,33,34);6-11,18H,2-5,12-17,19H2,1H3,(H2,29,31,32).
What are the key properties of 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[6-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[6-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 3234.75 g/mol, XLogP of 26.62, 52 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[6-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 161490786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).