1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridazine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;5-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;6-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
C207H284N42O4 — CID 158384006
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridazine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;5-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;6-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
SMILESCC(C)c1cc2n(n1)CC(=O)N(C)CC2.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1CCN2.CC(C)c1ccnc2c1CCN2C.CC(C)c1ccnc2c1ccn2C.CC(C)c1ccnc2c1ccn2C(C)C.CC(C)c1cn(C)c2cnncc12.CC(C)c1cnc2c(=O)n(C)ccn12.CC(C)c1cnc2cn(C)ncc1-2.CC(C)c1cnc2cnn(C)cc1-2.CC(C)c1cnc2n1CCCCC2.CC(C)c1cnc2nn(C)ccc1-2.CC(C)c1cnn2c1CCCCC2.CC(C)c1cnn2c1OC[C@@H](C)C2.CCn1ccc2c(C(C)C)ccnc21.COCCn1ccc2c(C(C)C)ccnc21
InChIInChI=1S/C13H18N2O.C13H18N2.C12H16N2.C12H15N.C11H17N3O.C11H16N2.2C11H14N2.2C11H18N2.C11H13N.C10H13N3O.4C10H13N3.C10H16N2O.C10H14N2.C10H12N2/c1-10(2)11-4-6-14-13-12(11)5-7-15(13)8-9-16-3;1-9(2)11-5-7-14-13-12(11)6-8-15(13)10(3)4;1-4-14-8-6-11-10(9(2)3)5-7-13-12(11)14;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)10-6-9-4-5-13(3)11(15)7-14(9)12-10;2*1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-9(2)10-8-12-11-6-4-3-5-7-13(10)11;1-9(2)10-8-12-13-7-5-3-4-6-11(10)13;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)8-6-11-9-10(14)12(3)4-5-13(8)9;1-7(2)9-6-13(3)10-5-12-11-4-8(9)10;1-7(2)8-4-11-10-5-12-13(3)6-9(8)10;1-7(2)8-4-11-10-6-13(3)12-5-9(8)10;1-7(2)9-6-11-10-8(9)4-5-13(3)12-10;1-7(2)9-4-11-12-5-8(3)6-13-10(9)12;2*1-7(2)8-3-5-11-10-9(8)4-6-12-10/h4-7,10H,8-9H2,1-3H3;5-10H,1-4H3;5-9H,4H2,1-3H3;4-9H,1-3H3;6,8H,4-5,7H2,1-3H3;4,6,8H,5,7H2,1-3H3;2*4-8H,1-3H3;2*8-9H,3-7H2,1-2H3;3-8,12H,1-2H3;4-7H,1-3H3;4*4-7H,1-3H3;4,7-8H,5-6H2,1-3H3;3,5,7H,4,6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12)/t;;;;;;;;;;;;;;;;8-;;/m................0../s1
InChIKeyGWDMGXOMIJARRC-PXDQWMHASA-N
MW3424.84 g/mol
LogP46.67
Rot. Bonds24
About 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridazine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;5-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;6-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridazine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;5-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;6-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine (PubChem CID 158384006) has the molecular formula C207H284N42O4 and a molecular weight of 3424.84 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridazine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;5-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;6-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine.
Molecular Properties
| Compound Name | 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridazine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;5-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;6-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine |
|---|---|
| PubChem CID | 158384006 |
| Molecular Formula | C207H284N42O4 |
| Molecular Weight | 3424.84 g/mol |
| Exact Mass | 3422.33 |
| IUPAC Name | 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridazine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;5-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;6-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine |
| SMILES | CC(C)c1cc2n(n1)CC(=O)N(C)CC2.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1CCN2.CC(C)c1ccnc2c1CCN2C.CC(C)c1ccnc2c1ccn2C.CC(C)c1ccnc2c1ccn2C(C)C.CC(C)c1cn(C)c2cnncc12.CC(C)c1cnc2c(=O)n(C)ccn12.CC(C)c1cnc2cn(C)ncc1-2.CC(C)c1cnc2cnn(C)cc1-2.CC(C)c1cnc2n1CCCCC2.CC(C)c1cnc2nn(C)ccc1-2.CC(C)c1cnn2c1CCCCC2.CC(C)c1cnn2c1OC[C@@H](C)C2.CCn1ccc2c(C(C)C)ccnc21.COCCn1ccc2c(C(C)C)ccnc21 |
| InChI | InChI=1S/C13H18N2O.C13H18N2.C12H16N2.C12H15N.C11H17N3O.C11H16N2.2C11H14N2.2C11H18N2.C11H13N.C10H13N3O.4C10H13N3.C10H16N2O.C10H14N2.C10H12N2/c1-10(2)11-4-6-14-13-12(11)5-7-15(13)8-9-16-3;1-9(2)11-5-7-14-13-12(11)6-8-15(13)10(3)4;1-4-14-8-6-11-10(9(2)3)5-7-13-12(11)14;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)10-6-9-4-5-13(3)11(15)7-14(9)12-10;2*1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-9(2)10-8-12-11-6-4-3-5-7-13(10)11;1-9(2)10-8-12-13-7-5-3-4-6-11(10)13;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)8-6-11-9-10(14)12(3)4-5-13(8)9;1-7(2)9-6-13(3)10-5-12-11-4-8(9)10;1-7(2)8-4-11-10-5-12-13(3)6-9(8)10;1-7(2)8-4-11-10-6-13(3)12-5-9(8)10;1-7(2)9-6-11-10-8(9)4-5-13(3)12-10;1-7(2)9-4-11-12-5-8(3)6-13-10(9)12;2*1-7(2)8-3-5-11-10-9(8)4-6-12-10/h4-7,10H,8-9H2,1-3H3;5-10H,1-4H3;5-9H,4H2,1-3H3;4-9H,1-3H3;6,8H,4-5,7H2,1-3H3;4,6,8H,5,7H2,1-3H3;2*4-8H,1-3H3;2*8-9H,3-7H2,1-2H3;3-8,12H,1-2H3;4-7H,1-3H3;4*4-7H,1-3H3;4,7-8H,5-6H2,1-3H3;3,5,7H,4,6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12)/t;;;;;;;;;;;;;;;;8-;;/m................0../s1 |
| InChIKey | GWDMGXOMIJARRC-PXDQWMHASA-N |
| XLogP | 46.67 |
| TPSA | 451.74 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 253 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3424.84 |
| LogP ≤ 5 | 46.67 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 43 |
Frequently Asked Questions
What is the IUPAC name of 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridazine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;5-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;6-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
The IUPAC name of 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridazine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;5-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;6-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine (CID 158384006) is 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridazine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;5-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;6-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine.
What is the SMILES notation for 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridazine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;5-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;6-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
The canonical SMILES for 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridazine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;5-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;6-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine is CC(C)c1cc2n(n1)CC(=O)N(C)CC2.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1CCN2.CC(C)c1ccnc2c1CCN2C.CC(C)c1ccnc2c1ccn2C.CC(C)c1ccnc2c1ccn2C(C)C.CC(C)c1cn(C)c2cnncc12.CC(C)c1cnc2c(=O)n(C)ccn12.CC(C)c1cnc2cn(C)ncc1-2.CC(C)c1cnc2cnn(C)cc1-2.CC(C)c1cnc2n1CCCCC2.CC(C)c1cnc2nn(C)ccc1-2.CC(C)c1cnn2c1CCCCC2.CC(C)c1cnn2c1OC[C@@H](C)C2.CCn1ccc2c(C(C)C)ccnc21.COCCn1ccc2c(C(C)C)ccnc21.
What is the InChIKey of 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridazine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;5-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;6-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
The InChIKey is GWDMGXOMIJARRC-PXDQWMHASA-N. The full InChI is InChI=1S/C13H18N2O.C13H18N2.C12H16N2.C12H15N.C11H17N3O.C11H16N2.2C11H14N2.2C11H18N2.C11H13N.C10H13N3O.4C10H13N3.C10H16N2O.C10H14N2.C10H12N2/c1-10(2)11-4-6-14-13-12(11)5-7-15(13)8-9-16-3;1-9(2)11-5-7-14-13-12(11)6-8-15(13)10(3)4;1-4-14-8-6-11-10(9(2)3)5-7-13-12(11)14;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)10-6-9-4-5-13(3)11(15)7-14(9)12-10;2*1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-9(2)10-8-12-11-6-4-3-5-7-13(10)11;1-9(2)10-8-12-13-7-5-3-4-6-11(10)13;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)8-6-11-9-10(14)12(3)4-5-13(8)9;1-7(2)9-6-13(3)10-5-12-11-4-8(9)10;1-7(2)8-4-11-10-5-12-13(3)6-9(8)10;1-7(2)8-4-11-10-6-13(3)12-5-9(8)10;1-7(2)9-6-11-10-8(9)4-5-13(3)12-10;1-7(2)9-4-11-12-5-8(3)6-13-10(9)12;2*1-7(2)8-3-5-11-10-9(8)4-6-12-10/h4-7,10H,8-9H2,1-3H3;5-10H,1-4H3;5-9H,4H2,1-3H3;4-9H,1-3H3;6,8H,4-5,7H2,1-3H3;4,6,8H,5,7H2,1-3H3;2*4-8H,1-3H3;2*8-9H,3-7H2,1-2H3;3-8,12H,1-2H3;4-7H,1-3H3;4*4-7H,1-3H3;4,7-8H,5-6H2,1-3H3;3,5,7H,4,6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12)/t;;;;;;;;;;;;;;;;8-;;/m................0../s1.
What are the key properties of 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridazine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;5-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;6-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridazine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;5-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;6-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine has a molecular weight of 3424.84 g/mol, XLogP of 46.67, 24 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridazine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;5-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;6-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine is sourced from PubChem (CID 158384006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158384006 — identifiers, structure, computed properties (public domain)
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