About 2-(cyanomethyl)-4-[2-[[1-[3-(dimethylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid
2-(cyanomethyl)-4-[2-[[1-[3-(dimethylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid (PubChem CID 175575369) has the molecular formula C39H52N8O5
and a molecular weight of 712.90 g/mol. Its IUPAC name is 2-(cyanomethyl)-4-[2-[[1-[3-(dimethylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid.
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Frequently Asked Questions
What is the IUPAC name of 2-(cyanomethyl)-4-[2-[[1-[3-(dimethylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid?
The IUPAC name of 2-(cyanomethyl)-4-[2-[[1-[3-(dimethylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid (CID 175575369) is 2-(cyanomethyl)-4-[2-[[1-[3-(dimethylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 2-(cyanomethyl)-4-[2-[[1-[3-(dimethylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 2-(cyanomethyl)-4-[2-[[1-[3-(dimethylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid is Cc1cccc2cccc(N3CCc4c(nc(OCC5(N(CCCN(C)C)C(=O)OC(C)(C)C)CC5)nc4N4CCN(C(=O)O)C(CC#N)C4)C3)c12.
What is the InChIKey of 2-(cyanomethyl)-4-[2-[[1-[3-(dimethylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid?
The InChIKey is KBWAIWDAYXWGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H52N8O5/c1-27-10-7-11-28-12-8-13-32(33(27)28)44-21-15-30-31(25-44)41-35(42-34(30)45-22-23-46(36(48)49)29(24-45)14-18-40)51-26-39(16-17-39)47(20-9-19-43(5)6)37(50)52-38(2,3)4/h7-8,10-13,29H,9,14-17,19-26H2,1-6H3,(H,48,49).
What are the key properties of 2-(cyanomethyl)-4-[2-[[1-[3-(dimethylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid?
2-(cyanomethyl)-4-[2-[[1-[3-(dimethylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid has a molecular weight of 712.90 g/mol, XLogP of 5.68, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)-4-[2-[[1-[3-(dimethylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 175575369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).