About 7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclopropanecarboxamide;N-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N'-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylethane-1,2-diamine;2,2,2-trifluoroacetic acid;tetrakis(1,1,1-trifluoropropan-2-one)
7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclopropanecarboxamide;N-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N'-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylethane-1,2-diamine;2,2,2-trifluoroacetic acid;tetrakis(1,1,1-trifluoropropan-2-one) (PubChem CID 159451683) has the molecular formula C112H115Cl5F15N41O8S5
and a molecular weight of 2786.00 g/mol. Its IUPAC name is 7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclopropanecarboxamide;N-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N'-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylethane-1,2-diamine;2,2,2-trifluoroacetic acid;tetrakis(1,1,1-trifluoropropan-2-one).
Frequently Asked Questions
What is the IUPAC name of 7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclopropanecarboxamide;N-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N'-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylethane-1,2-diamine;2,2,2-trifluoroacetic acid;tetrakis(1,1,1-trifluoropropan-2-one)?
The IUPAC name of 7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclopropanecarboxamide;N-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N'-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylethane-1,2-diamine;2,2,2-trifluoroacetic acid;tetrakis(1,1,1-trifluoropropan-2-one) (CID 159451683) is 7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclopropanecarboxamide;N-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N'-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylethane-1,2-diamine;2,2,2-trifluoroacetic acid;tetrakis(1,1,1-trifluoropropan-2-one).
What is the SMILES notation for 7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclopropanecarboxamide;N-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N'-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylethane-1,2-diamine;2,2,2-trifluoroacetic acid;tetrakis(1,1,1-trifluoropropan-2-one)?
The canonical SMILES for 7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclopropanecarboxamide;N-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N'-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylethane-1,2-diamine;2,2,2-trifluoroacetic acid;tetrakis(1,1,1-trifluoropropan-2-one) is CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCc1[nH]c2nc(Sc3cnc4c(N)nc(C)nc4c3)nc(N3CC(N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4c(N)nc(C)nc4c3)nc(N3CC(O)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(CNC(=O)C4CC4)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(NCCN(C)C)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(NCCNC)c2c1Cl.O=C(O)C(F)(F)F.
What is the InChIKey of 7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclopropanecarboxamide;N-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N'-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylethane-1,2-diamine;2,2,2-trifluoroacetic acid;tetrakis(1,1,1-trifluoropropan-2-one)?
The InChIKey is WOPUUFFLFDNOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN8OS.C19H20ClN9S.C19H19ClN8OS.C19H21ClN8S.C18H19ClN8S.4C3H3F3O.C2HF3O2/c1-2-15-18(24)17-20(29-15)30-23(34-14-7-16-19(27-9-14)26-6-5-25-16)31-21(17)32-10-12(11-32)8-28-22(33)13-3-4-13;1-3-11-14(20)13-17(26-11)27-19(28-18(13)29-6-9(21)7-29)30-10-4-12-15(23-5-10)16(22)25-8(2)24-12;1-3-11-14(20)13-17(25-11)26-19(27-18(13)28-6-9(29)7-28)30-10-4-12-15(22-5-10)16(21)24-8(2)23-12;1-4-12-15(20)14-17(23-7-8-28(2)3)26-19(27-18(14)25-12)29-11-9-13-16(24-10-11)22-6-5-21-13;1-3-11-14(19)13-16(23-5-4-20-2)26-18(27-17(13)25-11)28-10-8-12-15(24-9-10)22-7-6-21-12;4*1-2(7)3(4,5)6;3-2(4,5)1(6)7/h5-7,9,12-13H,2-4,8,10-11H2,1H3,(H,28,33)(H,29,30,31);4-5,9H,3,6-7,21H2,1-2H3,(H2,22,24,25)(H,26,27,28);4-5,9,29H,3,6-7H2,1-2H3,(H2,21,23,24)(H,25,26,27);5-6,9-10H,4,7-8H2,1-3H3,(H2,23,25,26,27);6-9,20H,3-5H2,1-2H3,(H2,23,25,26,27);4*1H3;(H,6,7).
What are the key properties of 7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclopropanecarboxamide;N-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N'-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylethane-1,2-diamine;2,2,2-trifluoroacetic acid;tetrakis(1,1,1-trifluoropropan-2-one)?
7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclopropanecarboxamide;N-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N'-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylethane-1,2-diamine;2,2,2-trifluoroacetic acid;tetrakis(1,1,1-trifluoropropan-2-one) has a molecular weight of 2786.00 g/mol, XLogP of 21.18, 29 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(3-aminoazetidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine;1-[2-(4-amino-2-methylpyrido[3,2-d]pyrimidin-7-yl)sulfanyl-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]cyclopropanecarboxamide;N-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N'-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-methylethane-1,2-diamine;2,2,2-trifluoroacetic acid;tetrakis(1,1,1-trifluoropropan-2-one) is sourced from PubChem (CID 159451683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).