1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol;1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
C121H124Cl5N37O3S5 — CID 164984365
Data last refreshed: (MolForge compound catalog, from PubChem)
About 1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol;1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol;1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 164984365) has the molecular formula C121H124Cl5N37O3S5 and a molecular weight of 2482.18 g/mol. Its IUPAC name is 1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol;1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
Molecular Properties
| Compound Name | 1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol;1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine |
|---|---|
| PubChem CID | 164984365 |
| Molecular Formula | C121H124Cl5N37O3S5 |
| Molecular Weight | 2482.18 g/mol |
| Exact Mass | 2477.77 |
| IUPAC Name | 1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;1'-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one;[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol;1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine |
| SMILES | Cc1cc(N2CCC3(CC2)Cc2ccccc2C3N)n2ncnc2c1Sc1ccnc(N)c1Cl.Nc1cc(N2CCC3(CC2)Cc2ccccc2C3N)n2ncnc2c1Sc1ccnc(N)c1Cl.Nc1cc(N2CCC3(CC2)Oc2ccccc2C3N)n2ncnc2c1Sc1ccnc(N)c1Cl.Nc1nccc(Sc2c(=O)cc(N3CCC4(CC3)Cc3ccccc3C4N)n3[nH]cnc23)c1Cl.Nc1nccc(Sc2c(CO)cc(N3CCC4(CC3)Cc3ccccc3C4N)n3ncnc23)c1Cl |
| InChI | InChI=1S/C25H26ClN7OS.C25H26ClN7S.C24H25ClN8S.C24H24ClN7OS.C23H23ClN8OS/c26-20-18(5-8-29-23(20)28)35-21-16(13-34)11-19(33-24(21)30-14-31-33)32-9-6-25(7-10-32)12-15-3-1-2-4-17(15)22(25)27;1-15-12-19(32-10-7-25(8-11-32)13-16-4-2-3-5-17(16)22(25)27)33-24(30-14-31-33)21(15)34-18-6-9-29-23(28)20(18)26;25-19-17(5-8-29-22(19)28)34-20-16(26)11-18(33-23(20)30-13-31-33)32-9-6-24(7-10-32)12-14-3-1-2-4-15(14)21(24)27;25-19-17(5-8-28-22(19)27)34-20-16(33)11-18(32-23(20)29-13-30-32)31-9-6-24(7-10-31)12-14-3-1-2-4-15(14)21(24)26;24-18-16(5-8-28-21(18)27)34-19-14(25)11-17(32-22(19)29-12-30-32)31-9-6-23(7-10-31)20(26)13-3-1-2-4-15(13)33-23/h1-5,8,11,14,22,34H,6-7,9-10,12-13,27H2,(H2,28,29);2-6,9,12,14,22H,7-8,10-11,13,27H2,1H3,(H2,28,29);1-5,8,11,13,21H,6-7,9-10,12,26-27H2,(H2,28,29);1-5,8,11,13,21H,6-7,9-10,12,26H2,(H2,27,28)(H,29,30);1-5,8,11-12,20H,6-7,9-10,25-26H2,(H2,27,28) |
| InChIKey | IDTBDOFAKKLWDG-UHFFFAOYSA-N |
| XLogP | 19.62 |
| TPSA | 593.27 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 171 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2482.18 |
| LogP ≤ 5 | 19.62 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 44 |
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