About tert-butyl 1'-[[4-(6-cyano-3-pyridinyl)isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;5-[3-[[1-[1-(methylamino)cyclopropanecarbonyl]-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]isoquinolin-4-yl]pyridine-2-carbonitrile;1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid
tert-butyl 1'-[[4-(6-cyano-3-pyridinyl)isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;5-[3-[[1-[1-(methylamino)cyclopropanecarbonyl]-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]isoquinolin-4-yl]pyridine-2-carbonitrile;1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 161025754) has the molecular formula C72H70N12O9
and a molecular weight of 1247.43 g/mol. Its IUPAC name is tert-butyl 1'-[[4-(6-cyano-3-pyridinyl)isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;5-[3-[[1-[1-(methylamino)cyclopropanecarbonyl]-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]isoquinolin-4-yl]pyridine-2-carbonitrile;1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid.
Analyze tert-butyl 1'-[[4-(6-cyano-3-pyridinyl)isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;5-[3-[[1-[1-(methylamino)cyclopropanecarbonyl]-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]isoquinolin-4-yl]pyridine-2-carbonitrile;1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid with MolForge
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Frequently Asked Questions
What is the IUPAC name of tert-butyl 1'-[[4-(6-cyano-3-pyridinyl)isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;5-[3-[[1-[1-(methylamino)cyclopropanecarbonyl]-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]isoquinolin-4-yl]pyridine-2-carbonitrile;1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of tert-butyl 1'-[[4-(6-cyano-3-pyridinyl)isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;5-[3-[[1-[1-(methylamino)cyclopropanecarbonyl]-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]isoquinolin-4-yl]pyridine-2-carbonitrile;1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid (CID 161025754) is tert-butyl 1'-[[4-(6-cyano-3-pyridinyl)isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;5-[3-[[1-[1-(methylamino)cyclopropanecarbonyl]-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]isoquinolin-4-yl]pyridine-2-carbonitrile;1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for tert-butyl 1'-[[4-(6-cyano-3-pyridinyl)isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;5-[3-[[1-[1-(methylamino)cyclopropanecarbonyl]-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]isoquinolin-4-yl]pyridine-2-carbonitrile;1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for tert-butyl 1'-[[4-(6-cyano-3-pyridinyl)isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;5-[3-[[1-[1-(methylamino)cyclopropanecarbonyl]-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]isoquinolin-4-yl]pyridine-2-carbonitrile;1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid is CC(C)(C)OC(=O)N1CC2(C1)C(=O)N(Cc1ncc3ccccc3c1-c1ccc(C#N)nc1)c1ccccc12.CN(C(=O)OC(C)(C)C)C1(C(=O)O)CC1.CNC1(C(=O)N2CC3(C2)C(=O)N(Cc2ncc4ccccc4c2-c2ccc(C#N)nc2)c2ccccc23)CC1.
What is the InChIKey of tert-butyl 1'-[[4-(6-cyano-3-pyridinyl)isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;5-[3-[[1-[1-(methylamino)cyclopropanecarbonyl]-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]isoquinolin-4-yl]pyridine-2-carbonitrile;1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is TYYJPJAHOWFGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N6O2.C31H27N5O3.C10H17NO4/c1-33-31(12-13-31)29(39)36-18-30(19-36)24-8-4-5-9-26(24)37(28(30)38)17-25-27(21-10-11-22(14-32)34-16-21)23-7-3-2-6-20(23)15-35-25;1-30(2,3)39-29(38)35-18-31(19-35)24-10-6-7-11-26(24)36(28(31)37)17-25-27(21-12-13-22(14-32)33-16-21)23-9-5-4-8-20(23)15-34-25;1-9(2,3)15-8(14)11(4)10(5-6-10)7(12)13/h2-11,15-16,33H,12-13,17-19H2,1H3;4-13,15-16H,17-19H2,1-3H3;5-6H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl 1'-[[4-(6-cyano-3-pyridinyl)isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;5-[3-[[1-[1-(methylamino)cyclopropanecarbonyl]-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]isoquinolin-4-yl]pyridine-2-carbonitrile;1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid?
tert-butyl 1'-[[4-(6-cyano-3-pyridinyl)isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;5-[3-[[1-[1-(methylamino)cyclopropanecarbonyl]-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]isoquinolin-4-yl]pyridine-2-carbonitrile;1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 1247.43 g/mol, XLogP of 10.22, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1'-[[4-(6-cyano-3-pyridinyl)isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;5-[3-[[1-[1-(methylamino)cyclopropanecarbonyl]-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]isoquinolin-4-yl]pyridine-2-carbonitrile;1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 161025754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).