About N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-isocyano-N-methylpyrrolo[1,2-b]pyridazin-4-amine;tert-butyl 2-[(1S,2R)-2-[(3-cyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxylic acid;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-isocyano-N-methylpyrrolo[1,2-b]pyridazin-4-amine;tert-butyl 2-[(1S,2R)-2-[(3-cyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxylic acid;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 157087499) has the molecular formula C156H219N39O11
and a molecular weight of 2816.73 g/mol. Its IUPAC name is N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-isocyano-N-methylpyrrolo[1,2-b]pyridazin-4-amine;tert-butyl 2-[(1S,2R)-2-[(3-cyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxylic acid;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-isocyano-N-methylpyrrolo[1,2-b]pyridazin-4-amine;tert-butyl 2-[(1S,2R)-2-[(3-cyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxylic acid;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-isocyano-N-methylpyrrolo[1,2-b]pyridazin-4-amine;tert-butyl 2-[(1S,2R)-2-[(3-cyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxylic acid;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 157087499) is N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-isocyano-N-methylpyrrolo[1,2-b]pyridazin-4-amine;tert-butyl 2-[(1S,2R)-2-[(3-cyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxylic acid;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-isocyano-N-methylpyrrolo[1,2-b]pyridazin-4-amine;tert-butyl 2-[(1S,2R)-2-[(3-cyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxylic acid;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-isocyano-N-methylpyrrolo[1,2-b]pyridazin-4-amine;tert-butyl 2-[(1S,2R)-2-[(3-cyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxylic acid;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is C.C.C.C.C.C.C.CC(C)(C)OC(=O)C[C@@H]1CCCC[C@H]1Nc1c(C#N)cnn2cccc12.CC1CCCCC1Nc1c(C(=O)O)cnn2cccc12.CC1CCCCC1Nc1c(C(N)=O)cnn2cccc12.CC1CCN(C(=O)CC#N)CC1Nc1c(C(N)=O)cnn2cccc12.CC1CCNCC1Nc1c(C(N)=O)cnn2cccc12.C[C@@H]1CCCC[C@@H]1Nc1c(C(N)=O)cnn2cccc12.C[C@H]1CCCC[C@H]1Nc1c(C(N)=O)cnn2cccc12.Cc1ccc2c(NC3CCCCC3C)c(C(N)=O)cnn12.[C-]#[N+]c1cnn2cccc2c1N(C)[C@H]1CN(Cc2ccccc2)CC[C@H]1C.
What is the InChIKey of N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-isocyano-N-methylpyrrolo[1,2-b]pyridazin-4-amine;tert-butyl 2-[(1S,2R)-2-[(3-cyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxylic acid;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is AEGMISMMESIZNU-PCNFWRHPSA-N. The full InChI is InChI=1S/C22H25N5.C20H26N4O2.C17H20N6O2.C16H22N4O.3C15H20N4O.C15H19N3O2.C14H19N5O.7CH4/c1-17-11-13-26(15-18-8-5-4-6-9-18)16-21(17)25(3)22-19(23-2)14-24-27-12-7-10-20(22)27;1-20(2,3)26-18(25)11-14-7-4-5-8-16(14)23-19-15(12-21)13-22-24-10-6-9-17(19)24;1-11-5-8-22(15(24)4-6-18)10-13(11)21-16-12(17(19)25)9-20-23-7-2-3-14(16)23;1-10-5-3-4-6-13(10)19-15-12(16(17)21)9-18-20-11(2)7-8-14(15)20;3*1-10-5-2-3-6-12(10)18-14-11(15(16)20)9-17-19-8-4-7-13(14)19;1-10-5-2-3-6-12(10)17-14-11(15(19)20)9-16-18-8-4-7-13(14)18;1-9-4-5-16-8-11(9)18-13-10(14(15)20)7-17-19-6-2-3-12(13)19;;;;;;;/h4-10,12,14,17,21H,11,13,15-16H2,1,3H3;6,9-10,13-14,16,23H,4-5,7-8,11H2,1-3H3;2-3,7,9,11,13,21H,4-5,8,10H2,1H3,(H2,19,25);7-10,13,19H,3-6H2,1-2H3,(H2,17,21);3*4,7-10,12,18H,2-3,5-6H2,1H3,(H2,16,20);4,7-10,12,17H,2-3,5-6H2,1H3,(H,19,20);2-3,6-7,9,11,16,18H,4-5,8H2,1H3,(H2,15,20);7*1H4/t17-,21+;14-,16+;;;2*10-,12+;;;;;;;;;;/m10..10........../s1.
What are the key properties of N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-isocyano-N-methylpyrrolo[1,2-b]pyridazin-4-amine;tert-butyl 2-[(1S,2R)-2-[(3-cyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxylic acid;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-isocyano-N-methylpyrrolo[1,2-b]pyridazin-4-amine;tert-butyl 2-[(1S,2R)-2-[(3-cyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxylic acid;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 2816.73 g/mol, XLogP of 27.46, 30 rotatable bonds, 16 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-isocyano-N-methylpyrrolo[1,2-b]pyridazin-4-amine;tert-butyl 2-[(1S,2R)-2-[(3-cyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxylic acid;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 157087499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).