C238H308N50 — CID 158174459
1H-benzimidazole;tetrakis(3-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazolo[3,4-c]pyridin-7-amine);ethane;bis(1H-indole);tetrakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 158174459) has the molecular formula C238H308N50 and a molecular weight of 3869.43 g/mol. Its IUPAC name is 1H-benzimidazole;tetrakis(3-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazolo[3,4-c]pyridin-7-amine);ethane;bis(1H-indole);tetrakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine.
| Compound Name | 1H-benzimidazole;tetrakis(3-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazolo[3,4-c]pyridin-7-amine);ethane;bis(1H-indole);tetrakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine |
|---|---|
| PubChem CID | 158174459 |
| Molecular Formula | C238H308N50 |
| Molecular Weight | 3869.43 g/mol |
| Exact Mass | 3866.56 |
| IUPAC Name | 1H-benzimidazole;tetrakis(3-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazolo[3,4-c]pyridin-7-amine);ethane;bis(1H-indole);tetrakis(1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine);1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-c]pyridin-7-amine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine |
| SMILES | CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1nc(C2CCCc3ccccc32)c2ccnc(N)c21.Cn1nc(C2CCCc3ccccc32)c2ccnc(N)c21.Cn1nc(C2CCCc3ccccc32)c2ccnc(N)c21.Cn1nc(C2CCCc3ccccc32)c2ccnc(N)c21.Cn1nc(C2Cc3ccccc3C2)c2ccnc(N)c21.Cn1nc(C2Cc3ccccc3C2)c2ccnc(N)c21.Cn1nc(C2Cc3ccccc3C2)c2ccnc(N)c21.Cn1nc(C2Cc3ccccc3C2)c2ccnc(N)c21.Nc1nccc2c(C3CCCc4ccccc43)nn(-c3ccccc3)c12.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccncc1.c1cn[nH]c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cncnc1 |
| InChI | InChI=1S/C22H20N4.4C17H18N4.4C16H16N4.2C8H7N.2C7H6N2.C6H5N3.C5H5N.C4H4N2.C3H4N2.18C2H6/c23-22-21-19(13-14-24-22)20(25-26(21)16-9-2-1-3-10-16)18-12-6-8-15-7-4-5-11-17(15)18;4*1-21-16-14(9-10-19-17(16)18)15(20-21)13-8-4-6-11-5-2-3-7-12(11)13;4*1-20-15-13(6-7-18-16(15)17)14(19-20)12-8-10-4-2-3-5-11(10)9-12;2*1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-5-4-8-9-6(5)7-3-1;1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1;18*1-2/h1-5,7,9-11,13-14,18H,6,8,12H2,(H2,23,24);4*2-3,5,7,9-10,13H,4,6,8H2,1H3,(H2,18,19);4*2-7,12H,8-9H2,1H3,(H2,17,18);2*1-6,9H;2*1-5H,(H,8,9);1-4H,(H,7,8,9);1-5H;1-4H;1-3H,(H,4,5);18*1-2H3 |
| InChIKey | FXVLYUSURKXQHW-UHFFFAOYSA-N |
| XLogP | 55.14 |
| TPSA | 708.43 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 288 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3869.43 |
| LogP ≤ 5 | 55.14 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 44 |