About N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-4-isocyanopyridine-2-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-isocyano-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide;N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine;N-[3-(4-methylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;[2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-[2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazol-4-yl]methanone
N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-4-isocyanopyridine-2-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-isocyano-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide;N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine;N-[3-(4-methylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;[2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-[2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazol-4-yl]methanone (PubChem CID 162044262) has the molecular formula C151H163F9N44O13
and a molecular weight of 2973.24 g/mol. Its IUPAC name is N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-4-isocyanopyridine-2-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-isocyano-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide;N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine;N-[3-(4-methylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;[2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-[2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazol-4-yl]methanone.
Frequently Asked Questions
What is the IUPAC name of N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-4-isocyanopyridine-2-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-isocyano-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide;N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine;N-[3-(4-methylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;[2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-[2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-4-isocyanopyridine-2-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-isocyano-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide;N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine;N-[3-(4-methylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;[2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-[2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazol-4-yl]methanone (CID 162044262) is N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-4-isocyanopyridine-2-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-isocyano-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide;N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine;N-[3-(4-methylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;[2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-[2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-4-isocyanopyridine-2-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-isocyano-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide;N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine;N-[3-(4-methylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;[2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-[2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-4-isocyanopyridine-2-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-isocyano-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide;N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine;N-[3-(4-methylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;[2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-[2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazol-4-yl]methanone is CC(C)c1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC(F)(F)F)c4)n3)c(C(=O)N3CCN(C)CC3)n2)cc1.CC(C)c1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC(F)(F)F)c4)n3)c(C(=O)NCCN(C)C)n2)cc1.CC(C)c1ccc(-n2cc3c(n2)CCCN3C(=O)c2coc(-c3ccnc(NCC(F)(F)F)c3)n2)cc1.CC(C)n1cc(Nc2nc(NC3CCC(N4CCOCC4)CC3)c3c(cnn3C)n2)cn1.[C-]#[N+]c1ccnc(C(=O)Nc2cn(-c3ccc(C(C)C)cc3)nc2C(N)=O)c1.[C-]#[N+]c1nn(-c2ccc(C(C)C)cc2)cc1NC(=O)c1coc(-c2ccnc(NCC3CC3)c2)n1.
What is the InChIKey of N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-4-isocyanopyridine-2-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-isocyano-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide;N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine;N-[3-(4-methylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;[2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-[2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is YXRJBNXUVULQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N8O3.C28H31F3N8O3.C26H25F3N6O2.C26H25N7O2.C22H33N9O.C20H18N6O2/c1-18(2)19-4-6-21(7-5-19)40-15-22(25(37-40)28(42)39-12-10-38(3)11-13-39)35-26(41)23-16-43-27(36-23)20-8-9-33-24(14-20)34-17-29(30,31)32;1-17(2)18-5-7-20(8-6-18)39-14-21(24(37-39)26(41)33-11-12-38(3)4)35-25(40)22-15-42-27(36-22)19-9-10-32-23(13-19)34-16-28(29,30)31;1-16(2)17-5-7-19(8-6-17)35-13-22-20(33-35)4-3-11-34(22)25(36)21-14-37-24(32-21)18-9-10-30-23(12-18)31-15-26(27,28)29;1-16(2)18-6-8-20(9-7-18)33-14-21(24(27-3)32-33)30-25(34)22-15-35-26(31-22)19-10-11-28-23(12-19)29-13-17-4-5-17;1-15(2)31-14-17(12-24-31)26-22-27-19-13-23-29(3)20(19)21(28-22)25-16-4-6-18(7-5-16)30-8-10-32-11-9-30;1-12(2)13-4-6-15(7-5-13)26-11-17(18(25-26)19(21)27)24-20(28)16-10-14(22-3)8-9-23-16/h4-9,14-16,18H,10-13,17H2,1-3H3,(H,33,34)(H,35,41);5-10,13-15,17H,11-12,16H2,1-4H3,(H,32,34)(H,33,41)(H,35,40);5-10,12-14,16H,3-4,11,15H2,1-2H3,(H,30,31);6-12,14-17H,4-5,13H2,1-2H3,(H,28,29)(H,30,34);12-16,18H,4-11H2,1-3H3,(H2,25,26,27,28);4-12H,1-2H3,(H2,21,27)(H,24,28).
What are the key properties of N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-4-isocyanopyridine-2-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-isocyano-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide;N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine;N-[3-(4-methylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;[2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-[2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazol-4-yl]methanone?
N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-4-isocyanopyridine-2-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-isocyano-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide;N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine;N-[3-(4-methylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;[2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-[2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 2973.24 g/mol, XLogP of 26.74, 44 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-4-isocyanopyridine-2-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-isocyano-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide;N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-methyl-7-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine;N-[3-(4-methylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;[2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-[2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 162044262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).