C147H187N25O7 — CID 157417975
1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-(3-propan-2-ylphenyl)carbamate;(3R)-3-(3-cyclopropyl-5-propan-2-ylindazol-1-yl)butanenitrile;2-methyl-N-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]propanamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-methyl-2-propan-2-ylindole;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;1-phenylmethoxy-3-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole (PubChem CID 157417975) has the molecular formula C147H187N25O7 and a molecular weight of 2416.28 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-(3-propan-2-ylphenyl)carbamate;(3R)-3-(3-cyclopropyl-5-propan-2-ylindazol-1-yl)butanenitrile;2-methyl-N-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]propanamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-methyl-2-propan-2-ylindole;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;1-phenylmethoxy-3-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole.
| Compound Name | 1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-(3-propan-2-ylphenyl)carbamate;(3R)-3-(3-cyclopropyl-5-propan-2-ylindazol-1-yl)butanenitrile;2-methyl-N-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]propanamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-methyl-2-propan-2-ylindole;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;1-phenylmethoxy-3-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole |
|---|---|
| PubChem CID | 157417975 |
| Molecular Formula | C147H187N25O7 |
| Molecular Weight | 2416.28 g/mol |
| Exact Mass | 2414.50 |
| IUPAC Name | 1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-(3-propan-2-ylphenyl)carbamate;(3R)-3-(3-cyclopropyl-5-propan-2-ylindazol-1-yl)butanenitrile;2-methyl-N-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]propanamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-methyl-2-propan-2-ylindole;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;1-phenylmethoxy-3-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole |
| SMILES | CC(C)/C=C1\CCCc2ccccc21.CC(C)C(=O)Nc1cccc(-c2cnco2)c1.CC(C)C(=O)Nc1nn(C)cc1-c1cnn(C)c1.CC(C)c1cc2ccccc2n1C.CC(C)c1ccc(-c2nn[nH]n2)cc1.CC(C)c1ccc2c(c1)c(C(N)=O)nn2C.CC(C)c1ccc2c(c1)c(C1CC1)nn2[C@H](C)CC#N.CC(C)c1cccc(-c2nn[nH]n2)c1.CC(C)c1cccc(NC(=O)OC(C)(C)C)c1.CC(C)c1cccc(OCc2ccccc2)c1.CC[C@H](C)n1nc(C2CC2)c2cc(C(C)C)ccc21 |
| InChI | InChI=1S/C17H21N3.C17H24N2.C16H18O.C14H21NO2.C14H18.C13H14N2O2.C12H17N5O.C12H15N3O.C12H15N.2C10H12N4/c1-11(2)14-6-7-16-15(10-14)17(13-4-5-13)19-20(16)12(3)8-9-18;1-5-12(4)19-16-9-8-14(11(2)3)10-15(16)17(18-19)13-6-7-13;1-13(2)15-9-6-10-16(11-15)17-12-14-7-4-3-5-8-14;1-10(2)11-7-6-8-12(9-11)15-13(16)17-14(3,4)5;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-9(2)13(16)15-11-5-3-4-10(6-11)12-7-14-8-17-12;1-8(2)12(18)14-11-10(7-17(4)15-11)9-5-13-16(3)6-9;1-7(2)8-4-5-10-9(6-8)11(12(13)16)14-15(10)3;1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10;1-7(2)8-4-3-5-9(6-8)10-11-13-14-12-10/h6-7,10-13H,4-5,8H2,1-3H3;8-13H,5-7H2,1-4H3;3-11,13H,12H2,1-2H3;6-10H,1-5H3,(H,15,16);3-4,6,9-11H,5,7-8H2,1-2H3;3-9H,1-2H3,(H,15,16);5-8H,1-4H3,(H,14,15,18);4-7H,1-3H3,(H2,13,16);4-9H,1-3H3;2*3-7H,1-2H3,(H,11,12,13,14)/b;;;;13-10+;;;;;;/t2*12-;;;;;;;;;/m10........./s1 |
| InChIKey | BPBNCVJXSQTZRI-ZMQOXBEZSA-N |
| XLogP | 35.56 |
| TPSA | 401.62 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 179 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2416.28 |
| LogP ≤ 5 | 35.56 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 26 |