C174H221FN28O22S2 — CID 161377017
2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol (PubChem CID 161377017) has the molecular formula C174H221FN28O22S2 and a molecular weight of 3139.99 g/mol. Its IUPAC name is 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol.
| Compound Name | 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol |
|---|---|
| PubChem CID | 161377017 |
| Molecular Formula | C174H221FN28O22S2 |
| Molecular Weight | 3139.99 g/mol |
| Exact Mass | 3137.65 |
| IUPAC Name | 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol |
| SMILES | CC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.CC(C)(C)OC(=O)NCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.CS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.O=C(OCc1ccccc1)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.O=C(c1ccccc1)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.OC(c1c([C@H]2C[C@@H]2F)ccn2cncc12)C1CCCCC1.OCC1(C(O)c2c(C3CC3)ccn3cncc23)CCCCC1 |
| InChI | InChI=1S/C24H27N3O3.C23H32N4O4.C23H25N3O2.C18H24N4O2.C18H23N3O2.C18H24N2O2.C17H21FN2O.C17H23N3O3S.C16H22N4O3S/c28-23(22-20(18-8-9-18)10-12-27-16-25-13-21(22)27)19-7-4-11-26(14-19)24(29)30-15-17-5-2-1-3-6-17;1-23(2,3)31-22(30)25-12-19(28)26-9-4-5-16(13-26)21(29)20-17(15-6-7-15)8-10-27-14-24-11-18(20)27;27-22(21-19(16-8-9-16)10-12-26-15-24-13-20(21)26)18-7-4-11-25(14-18)23(28)17-5-2-1-3-6-17;19-8-16(23)21-6-1-2-13(10-21)18(24)17-14(12-3-4-12)5-7-22-11-20-9-15(17)22;1-12(22)20-7-2-3-14(10-20)18(23)17-15(13-4-5-13)6-8-21-11-19-9-16(17)21;21-11-18(7-2-1-3-8-18)17(22)16-14(13-4-5-13)6-9-20-12-19-10-15(16)20;18-14-8-13(14)12-6-7-20-10-19-9-15(20)16(12)17(21)11-4-2-1-3-5-11;1-24(22,23)20-7-2-3-13(10-20)17(21)16-14(12-4-5-12)6-8-19-11-18-9-15(16)19;17-24(22,23)20-6-1-2-12(9-20)16(21)15-13(11-3-4-11)5-7-19-10-18-8-14(15)19/h1-3,5-6,10,12-13,16,18-19,23,28H,4,7-9,11,14-15H2;8,10-11,14-16,21,29H,4-7,9,12-13H2,1-3H3,(H,25,30);1-3,5-6,10,12-13,15-16,18,22,27H,4,7-9,11,14H2;5,7,9,11-13,18,24H,1-4,6,8,10,19H2;6,8-9,11,13-14,18,23H,2-5,7,10H2,1H3;6,9-10,12-13,17,21-22H,1-5,7-8,11H2;6-7,9-11,13-14,17,21H,1-5,8H2;6,8-9,11-13,17,21H,2-5,7,10H2,1H3;5,7-8,10-12,16,21H,1-4,6,9H2,(H2,17,22,23)/t;;;;;;13-,14+,17?;;/m......1../s1 |
| InChIKey | VRFASQBDXXUVPF-SPPVULBWSA-N |
| XLogP | 25.08 |
| TPSA | 633.91 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 227 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3139.99 |
| LogP ≤ 5 | 25.08 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 41 |