About 2-(cyanomethyl)-4-[2-[[1-[2-(dimethylamino)ethyl-[(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-[2-(dimethylamino)ethyl-[(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 175575367) has the molecular formula C38H50N8O5
and a molecular weight of 698.87 g/mol. Its IUPAC name is 2-(cyanomethyl)-4-[2-[[1-[2-(dimethylamino)ethyl-[(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-[2-(dimethylamino)ethyl-[(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-[2-(dimethylamino)ethyl-[(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 175575367) is 2-(cyanomethyl)-4-[2-[[1-[2-(dimethylamino)ethyl-[(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-[2-(dimethylamino)ethyl-[(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-[2-(dimethylamino)ethyl-[(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(CCN(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-[2-(dimethylamino)ethyl-[(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 CYTCYXIBVSOCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50N8O5/c1-26-9-7-10-27-11-8-12-31(32(26)27)43-18-14-29-30(24-43)40-34(41-33(29)44-20-21-45(35(47)48)28(23-44)13-17-39)50-25-38(15-16-38)46(22-19-42(5)6)36(49)51-37(2,3)4/h7-12,28H,13-16,18-25H2,1-6H3,(H,47,48).
What are the key properties of 2-(cyanomethyl)-4-[2-[[1-[2-(dimethylamino)ethyl-[(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-[2-(dimethylamino)ethyl-[(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 698.87 g/mol, XLogP of 5.29, 10 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-[2-(dimethylamino)ethyl-[(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 175575367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).