About N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione
N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 162182978) has the molecular formula C169H178F9N49O24
and a molecular weight of 3450.58 g/mol. Its IUPAC name is N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione.
Frequently Asked Questions
What is the IUPAC name of N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione (CID 162182978) is N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione is C=CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc2n(CC=C)c1=O.C=CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(F)nc4)nc3)nc2n(CC=C)c1=O.C=CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4cccnc4)nc3)nc2n(CC=C)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(CC)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N4CCNCC4)nc3)nc2n(CCC)c1=O.
What is the InChIKey of N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is ZPHCMNONWJZPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O4.C25H26F3N7O3.C25H28FN7O4.C25H24FN7O4.C25H25N7O4.C23H24FN7O3.C20H27N7O2/c1-4-10-35-22-20(24(38)36(11-5-2)25(35)39)32-21(33-22)16-7-9-19(31-14-16)34(12-13-40-3)23(37)17-6-8-18(30-15-17)26(27,28)29;1-4-11-34-21-19(23(37)35(12-5-2)24(34)38)31-20(32-21)15-8-10-18(30-13-15)33(6-3)22(36)16-7-9-17(29-14-16)25(26,27)28;2*1-4-10-32-22-20(24(35)33(11-5-2)25(32)36)29-21(30-22)16-7-9-19(28-14-16)31(12-13-37-3)23(34)17-6-8-18(26)27-15-17;1-4-11-31-22-20(24(34)32(12-5-2)25(31)35)28-21(29-22)17-8-9-19(27-16-17)30(13-14-36-3)23(33)18-7-6-10-26-15-18;1-4-10-30-20-18(22(33)31(11-5-2)23(30)34)27-19(28-20)14-7-9-17(26-12-14)29(3)21(32)15-6-8-16(24)25-13-15;1-3-9-26-18-16(19(28)27(10-4-2)20(26)29)23-17(24-18)14-5-6-15(22-13-14)25-11-7-21-8-12-25/h4-9,14-15H,1-2,10-13H2,3H3,(H,32,33);7-10,13-14H,4-6,11-12H2,1-3H3,(H,31,32);6-9,14-15H,4-5,10-13H2,1-3H3,(H,29,30);4-9,14-15H,1-2,10-13H2,3H3,(H,29,30);4-10,15-16H,1-2,11-14H2,3H3,(H,28,29);6-9,12-13H,4-5,10-11H2,1-3H3,(H,27,28);5-6,13,21H,3-4,7-12H2,1-2H3,(H,23,24).
What are the key properties of N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione?
N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 3450.58 g/mol, XLogP of 17.38, 61 rotatable bonds, 8 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 162182978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).