About 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;3,5-dimethyl-1-propan-2-ylpyrazole-4-carbaldehyde;2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-7-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-imidazo[4,5-b]pyridine;methane;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-3-nitropyridin-2-amine;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyridine-2,3-diamine;molecular hydrogen
3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;3,5-dimethyl-1-propan-2-ylpyrazole-4-carbaldehyde;2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-7-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-imidazo[4,5-b]pyridine;methane;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-3-nitropyridin-2-amine;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyridine-2,3-diamine;molecular hydrogen (PubChem CID 167566949) has the molecular formula C136H172N28O8
and a molecular weight of 2327.06 g/mol. Its IUPAC name is 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;3,5-dimethyl-1-propan-2-ylpyrazole-4-carbaldehyde;2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-7-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-imidazo[4,5-b]pyridine;methane;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-3-nitropyridin-2-amine;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyridine-2,3-diamine;molecular hydrogen.
Frequently Asked Questions
What is the IUPAC name of 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;3,5-dimethyl-1-propan-2-ylpyrazole-4-carbaldehyde;2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-7-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-imidazo[4,5-b]pyridine;methane;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-3-nitropyridin-2-amine;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyridine-2,3-diamine;molecular hydrogen?
The IUPAC name of 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;3,5-dimethyl-1-propan-2-ylpyrazole-4-carbaldehyde;2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-7-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-imidazo[4,5-b]pyridine;methane;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-3-nitropyridin-2-amine;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyridine-2,3-diamine;molecular hydrogen (CID 167566949) is 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;3,5-dimethyl-1-propan-2-ylpyrazole-4-carbaldehyde;2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-7-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-imidazo[4,5-b]pyridine;methane;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-3-nitropyridin-2-amine;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyridine-2,3-diamine;molecular hydrogen.
What is the SMILES notation for 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;3,5-dimethyl-1-propan-2-ylpyrazole-4-carbaldehyde;2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-7-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-imidazo[4,5-b]pyridine;methane;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-3-nitropyridin-2-amine;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyridine-2,3-diamine;molecular hydrogen?
The canonical SMILES for 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;3,5-dimethyl-1-propan-2-ylpyrazole-4-carbaldehyde;2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-7-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-imidazo[4,5-b]pyridine;methane;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-3-nitropyridin-2-amine;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyridine-2,3-diamine;molecular hydrogen is C.CC1CCCCc2cc(-c3ccnc(N)c3N)ccc21.CC1CCCCc2cc(-c3ccnc(N)c3[N+](=O)[O-])ccc21.COC(=O)c1nc(C(C)(C)C)no1.Cc1nn(C(C)C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCCC4C)c2[nH]1.Cc1nn(C(C)C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCCC4N)c2[nH]1.Cc1nn(C(C)C)c(C)c1C1=Nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3nc(C(C)(C)C)no3)c2C1.Cc1nn(C(C)C)c(C)c1C=O.[H][H].
What is the InChIKey of 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;3,5-dimethyl-1-propan-2-ylpyrazole-4-carbaldehyde;2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-7-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-imidazo[4,5-b]pyridine;methane;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-3-nitropyridin-2-amine;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyridine-2,3-diamine;molecular hydrogen?
The InChIKey is FKDGOLXDLKKIKB-SCXPSILXSA-N. The full InChI is InChI=1S/C33H39N7O2.C26H31N5.C25H30N6.C17H19N3O2.C17H21N3.C9H14N2O.C8H12N2O3.CH4.H2/c1-18(2)40-20(4)28(19(3)38-40)27-17-25-23(14-15-34-29(25)35-27)22-12-13-24-21(16-22)10-8-9-11-26(24)36-30(41)31-37-32(39-42-31)33(5,6)7;1-15(2)31-18(5)23(17(4)30-31)25-28-24-22(12-13-27-26(24)29-25)20-10-11-21-16(3)8-6-7-9-19(21)14-20;1-14(2)31-16(4)22(15(3)30-31)24-28-23-20(11-12-27-25(23)29-24)18-9-10-19-17(13-18)7-5-6-8-21(19)26;1-11-4-2-3-5-12-10-13(6-7-14(11)12)15-8-9-19-17(18)16(15)20(21)22;1-11-4-2-3-5-12-10-13(6-7-14(11)12)15-8-9-20-17(19)16(15)18;1-6(2)11-8(4)9(5-12)7(3)10-11;1-8(2,3)7-9-5(13-10-7)6(11)12-4;;/h12-16,18,26H,8-11,17H2,1-7H3,(H,36,41);10-16H,6-9H2,1-5H3,(H,27,28,29);9-14,21H,5-8,26H2,1-4H3,(H,27,28,29);6-11H,2-5H2,1H3,(H2,18,19);6-11H,2-5,18H2,1H3,(H2,19,20);5-6H,1-4H3;1-4H3;1H4;1H/t26-;;;;;;;;/m1......../s1.
What are the key properties of 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;3,5-dimethyl-1-propan-2-ylpyrazole-4-carbaldehyde;2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-7-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-imidazo[4,5-b]pyridine;methane;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-3-nitropyridin-2-amine;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyridine-2,3-diamine;molecular hydrogen?
3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;3,5-dimethyl-1-propan-2-ylpyrazole-4-carbaldehyde;2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-7-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-imidazo[4,5-b]pyridine;methane;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-3-nitropyridin-2-amine;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyridine-2,3-diamine;molecular hydrogen has a molecular weight of 2327.06 g/mol, XLogP of 30.37, 17 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(5R)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide;3,5-dimethyl-1-propan-2-ylpyrazole-4-carbaldehyde;2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-7-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-imidazo[4,5-b]pyridine;methane;methyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-3-nitropyridin-2-amine;4-(5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyridine-2,3-diamine;molecular hydrogen is sourced from PubChem (CID 167566949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).