About 2-[1-[5-[5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-[[1-(methoxymethyl)cyclohexyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazin-2-yl]-3,3-dimethylpiperidin-4-yl]oxyacetic acid
2-[1-[5-[5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-[[1-(methoxymethyl)cyclohexyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazin-2-yl]-3,3-dimethylpiperidin-4-yl]oxyacetic acid (PubChem CID 153362232) has the molecular formula C38H47F3N8O4
and a molecular weight of 736.84 g/mol. Its IUPAC name is 2-[1-[5-[5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-[[1-(methoxymethyl)cyclohexyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazin-2-yl]-3,3-dimethylpiperidin-4-yl]oxyacetic acid.
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Frequently Asked Questions
What is the IUPAC name of 2-[1-[5-[5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-[[1-(methoxymethyl)cyclohexyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazin-2-yl]-3,3-dimethylpiperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[5-[5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-[[1-(methoxymethyl)cyclohexyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazin-2-yl]-3,3-dimethylpiperidin-4-yl]oxyacetic acid (CID 153362232) is 2-[1-[5-[5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-[[1-(methoxymethyl)cyclohexyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazin-2-yl]-3,3-dimethylpiperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[5-[5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-[[1-(methoxymethyl)cyclohexyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazin-2-yl]-3,3-dimethylpiperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[5-[5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-[[1-(methoxymethyl)cyclohexyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazin-2-yl]-3,3-dimethylpiperidin-4-yl]oxyacetic acid is COCC1(CN(C)c2cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)nc3nc(-c4cnc(N5CCC(OCC(=O)O)C(C)(C)C5)cn4)[nH]c23)CCCCC1.
What is the InChIKey of 2-[1-[5-[5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-[[1-(methoxymethyl)cyclohexyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazin-2-yl]-3,3-dimethylpiperidin-4-yl]oxyacetic acid?
The InChIKey is IHYXZEMHTRNCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47F3N8O4/c1-36(2)20-49(13-10-30(36)53-19-32(50)51)31-18-42-27(17-43-31)34-46-33-28(48(3)21-37(22-52-4)11-6-5-7-12-37)16-26(45-35(33)47-34)24-14-25(23-8-9-23)44-29(15-24)38(39,40)41/h14-18,23,30H,5-13,19-22H2,1-4H3,(H,50,51)(H,45,46,47).
What are the key properties of 2-[1-[5-[5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-[[1-(methoxymethyl)cyclohexyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazin-2-yl]-3,3-dimethylpiperidin-4-yl]oxyacetic acid?
2-[1-[5-[5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-[[1-(methoxymethyl)cyclohexyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazin-2-yl]-3,3-dimethylpiperidin-4-yl]oxyacetic acid has a molecular weight of 736.84 g/mol, XLogP of 7.11, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-[[1-(methoxymethyl)cyclohexyl]methyl-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazin-2-yl]-3,3-dimethylpiperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 153362232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).