7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-7H-purine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
C168H208N72O4 — CID 157313507
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-7H-purine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
SMILESCC(C)C1=Nc2cncnc2C1.CC(C)c1[nH]nc2nc[nH]c(=O)c12.CC(C)c1ccc2ncnn2n1.CC(C)c1ccc2nncn2n1.CC(C)c1ccc2nnnn2c1.CC(C)c1cccn2ncnc12.CC(C)c1ccn2c(=O)[nH]nc2c1.CC(C)c1ccn2cnnc2c1.CC(C)c1ccn2ncnc2c1.CC(C)c1ccn2nnnc2c1.CC(C)c1ccnc2[nH]c(=O)[nH]c12.CC(C)c1ccnc2n[nH]nc12.CC(C)c1ccnc2n[nH]nc12.CC(C)c1cn2cnnc2cn1.CC(C)c1cn2ncnc2cn1.CC(C)c1cnc2c(c1)CC(=O)N2.CC(C)c1cnc2ncnn2c1.CC(C)c1nc2cnccn2n1.CC(C)c1ncnc2[nH]ncc12.CC(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C10H12N2O.2C9H11N3O.4C9H11N3.C8H10N4O.12C8H10N4/c1-6(2)8-3-7-4-9(13)12-10(7)11-5-8;1-6(2)7-3-4-12-8(5-7)10-11-9(12)13;1-5(2)6-3-4-10-8-7(6)11-9(13)12-8;1-6(2)7-3-8-9(12-7)4-10-5-11-8;1-7(2)8-3-4-12-6-10-11-9(12)5-8;1-7(2)8-3-4-12-9(5-8)10-6-11-12;1-7(2)8-4-3-5-12-9(8)10-6-11-12;1-4(2)6-5-7(12-11-6)9-3-10-8(5)13;1-6(2)7-4-12-5-10-11-8(12)3-9-7;1-6(2)7-4-12-8(3-9-7)10-5-11-12;1-6(2)7-3-9-8-10-5-11-12(8)4-7;1-5(2)6-7-8(11-3-9-6)12-4-10-7;1-5(2)7-6-3-11-12-8(6)10-4-9-7;1-6(2)8-10-7-5-9-3-4-12(7)11-8;1-6(2)7-3-4-8-10-9-5-12(8)11-7;1-6(2)7-3-4-8-9-5-10-12(8)11-7;1-6(2)7-3-4-12-8(5-7)9-10-11-12;1-6(2)7-3-4-8-9-10-11-12(8)5-7;2*1-5(2)6-3-4-9-8-7(6)10-12-11-8/h3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H,11,13);3-5H,1-2H3,(H2,10,11,12,13);4-6H,3H2,1-2H3;3*3-7H,1-2H3;3-4H,1-2H3,(H2,9,10,11,12,13);3*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12);5*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12)
InChIKeyBDHVWNZPBRUURH-UHFFFAOYSA-N
MW3300.01 g/mol
LogP28.20
Rot. Bonds20
About 7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-7H-purine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-7H-purine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) (PubChem CID 157313507) has the molecular formula C168H208N72O4 and a molecular weight of 3300.01 g/mol. Its IUPAC name is 7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-7H-purine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine).
Molecular Properties
| Compound Name | 7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-7H-purine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) |
|---|---|
| PubChem CID | 157313507 |
| Molecular Formula | C168H208N72O4 |
| Molecular Weight | 3300.01 g/mol |
| Exact Mass | 3297.83 |
| IUPAC Name | 7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-7H-purine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) |
| SMILES | CC(C)C1=Nc2cncnc2C1.CC(C)c1[nH]nc2nc[nH]c(=O)c12.CC(C)c1ccc2ncnn2n1.CC(C)c1ccc2nncn2n1.CC(C)c1ccc2nnnn2c1.CC(C)c1cccn2ncnc12.CC(C)c1ccn2c(=O)[nH]nc2c1.CC(C)c1ccn2cnnc2c1.CC(C)c1ccn2ncnc2c1.CC(C)c1ccn2nnnc2c1.CC(C)c1ccnc2[nH]c(=O)[nH]c12.CC(C)c1ccnc2n[nH]nc12.CC(C)c1ccnc2n[nH]nc12.CC(C)c1cn2cnnc2cn1.CC(C)c1cn2ncnc2cn1.CC(C)c1cnc2c(c1)CC(=O)N2.CC(C)c1cnc2ncnn2c1.CC(C)c1nc2cnccn2n1.CC(C)c1ncnc2[nH]ncc12.CC(C)c1ncnc2nc[nH]c12 |
| InChI | InChI=1S/C10H12N2O.2C9H11N3O.4C9H11N3.C8H10N4O.12C8H10N4/c1-6(2)8-3-7-4-9(13)12-10(7)11-5-8;1-6(2)7-3-4-12-8(5-7)10-11-9(12)13;1-5(2)6-3-4-10-8-7(6)11-9(13)12-8;1-6(2)7-3-8-9(12-7)4-10-5-11-8;1-7(2)8-3-4-12-6-10-11-9(12)5-8;1-7(2)8-3-4-12-9(5-8)10-6-11-12;1-7(2)8-4-3-5-12-9(8)10-6-11-12;1-4(2)6-5-7(12-11-6)9-3-10-8(5)13;1-6(2)7-4-12-5-10-11-8(12)3-9-7;1-6(2)7-4-12-8(3-9-7)10-5-11-12;1-6(2)7-3-9-8-10-5-11-12(8)4-7;1-5(2)6-7-8(11-3-9-6)12-4-10-7;1-5(2)7-6-3-11-12-8(6)10-4-9-7;1-6(2)8-10-7-5-9-3-4-12(7)11-8;1-6(2)7-3-4-8-10-9-5-12(8)11-7;1-6(2)7-3-4-8-9-5-10-12(8)11-7;1-6(2)7-3-4-12-8(5-7)9-10-11-12;1-6(2)7-3-4-8-9-10-11-12(8)5-7;2*1-5(2)6-3-4-9-8-7(6)10-12-11-8/h3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H,11,13);3-5H,1-2H3,(H2,10,11,12,13);4-6H,3H2,1-2H3;3*3-7H,1-2H3;3-4H,1-2H3,(H2,9,10,11,12,13);3*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12);5*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12) |
| InChIKey | BDHVWNZPBRUURH-UHFFFAOYSA-N |
| XLogP | 28.20 |
| TPSA | 919.31 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 66 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 244 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3300.01 |
| LogP ≤ 5 | 28.20 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 66 |
Frequently Asked Questions
What is the IUPAC name of 7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-7H-purine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)?
The IUPAC name of 7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-7H-purine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) (CID 157313507) is 7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-7H-purine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine).
What is the SMILES notation for 7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-7H-purine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)?
The canonical SMILES for 7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-7H-purine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) is CC(C)C1=Nc2cncnc2C1.CC(C)c1[nH]nc2nc[nH]c(=O)c12.CC(C)c1ccc2ncnn2n1.CC(C)c1ccc2nncn2n1.CC(C)c1ccc2nnnn2c1.CC(C)c1cccn2ncnc12.CC(C)c1ccn2c(=O)[nH]nc2c1.CC(C)c1ccn2cnnc2c1.CC(C)c1ccn2ncnc2c1.CC(C)c1ccn2nnnc2c1.CC(C)c1ccnc2[nH]c(=O)[nH]c12.CC(C)c1ccnc2n[nH]nc12.CC(C)c1ccnc2n[nH]nc12.CC(C)c1cn2cnnc2cn1.CC(C)c1cn2ncnc2cn1.CC(C)c1cnc2c(c1)CC(=O)N2.CC(C)c1cnc2ncnn2c1.CC(C)c1nc2cnccn2n1.CC(C)c1ncnc2[nH]ncc12.CC(C)c1ncnc2nc[nH]c12.
What is the InChIKey of 7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-7H-purine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)?
The InChIKey is BDHVWNZPBRUURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.2C9H11N3O.4C9H11N3.C8H10N4O.12C8H10N4/c1-6(2)8-3-7-4-9(13)12-10(7)11-5-8;1-6(2)7-3-4-12-8(5-7)10-11-9(12)13;1-5(2)6-3-4-10-8-7(6)11-9(13)12-8;1-6(2)7-3-8-9(12-7)4-10-5-11-8;1-7(2)8-3-4-12-6-10-11-9(12)5-8;1-7(2)8-3-4-12-9(5-8)10-6-11-12;1-7(2)8-4-3-5-12-9(8)10-6-11-12;1-4(2)6-5-7(12-11-6)9-3-10-8(5)13;1-6(2)7-4-12-5-10-11-8(12)3-9-7;1-6(2)7-4-12-8(3-9-7)10-5-11-12;1-6(2)7-3-9-8-10-5-11-12(8)4-7;1-5(2)6-7-8(11-3-9-6)12-4-10-7;1-5(2)7-6-3-11-12-8(6)10-4-9-7;1-6(2)8-10-7-5-9-3-4-12(7)11-8;1-6(2)7-3-4-8-10-9-5-12(8)11-7;1-6(2)7-3-4-8-9-5-10-12(8)11-7;1-6(2)7-3-4-12-8(5-7)9-10-11-12;1-6(2)7-3-4-8-9-10-11-12(8)5-7;2*1-5(2)6-3-4-9-8-7(6)10-12-11-8/h3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H,11,13);3-5H,1-2H3,(H2,10,11,12,13);4-6H,3H2,1-2H3;3*3-7H,1-2H3;3-4H,1-2H3,(H2,9,10,11,12,13);3*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12);5*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12).
What are the key properties of 7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-7H-purine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)?
7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-7H-purine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) has a molecular weight of 3300.01 g/mol, XLogP of 28.20, 20 rotatable bonds, 10 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-7H-purine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;7-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) is sourced from PubChem (CID 157313507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157313507 — identifiers, structure, computed properties (public domain)
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