N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
C119H142Cl4FN29O5S8 — CID 164954297
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc2c(c1)[C@@H](NS(=O)C(C)(C)C)C1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nccn34)CC1)C2.Cc1cc2c(cc1F)CC1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nccn34)CC1)[C@@H]2NS(=O)C(C)(C)C.Cc1cn2c(N3CCC4(CC3)Cc3ccccc3[C@H]4NS(=O)C(C)(C)C)nc(C)c(Sc3ccnc(N)c3Cl)c2n1.Cc1cn2c(N3CCC4(CC3)Cc3ncccc3[C@H]4NS(=O)C(C)(C)C)nc(C)c(Sc3ccnc(N)c3Cl)c2n1
InChIInChI=1S/C30H35ClFN7OS2.C30H36ClN7O2S2.C30H36ClN7OS2.C29H35ClN8OS2/c1-17-14-20-19(15-21(17)32)16-30(25(20)37-42(40)29(3,4)5)7-11-38(12-8-30)28-36-18(2)24(27-35-10-13-39(27)28)41-22-6-9-34-26(33)23(22)31;1-18-24(41-22-8-11-33-26(32)23(22)31)27-34-12-15-38(27)28(35-18)37-13-9-30(10-14-37)17-19-6-7-20(40-5)16-21(19)25(30)36-42(39)29(2,3)4;1-18-17-38-27(34-18)24(40-22-10-13-33-26(32)23(22)31)19(2)35-28(38)37-14-11-30(12-15-37)16-20-8-6-7-9-21(20)25(30)36-41(39)29(3,4)5;1-17-16-38-26(34-17)23(40-21-8-12-33-25(31)22(21)30)18(2)35-27(38)37-13-9-29(10-14-37)15-20-19(7-6-11-32-20)24(29)36-41(39)28(3,4)5/h6,9-10,13-15,25,37H,7-8,11-12,16H2,1-5H3,(H2,33,34);6-8,11-12,15-16,25,36H,9-10,13-14,17H2,1-5H3,(H2,32,33);6-10,13,17,25,36H,11-12,14-16H2,1-5H3,(H2,32,33);6-8,11-12,16,24,36H,9-10,13-15H2,1-5H3,(H2,31,33)/t2*25-,42?;25-,41?;24-,41?/m1111/s1
InChIKeyAYOYTGBWQYUENW-GKFCMXMGSA-N
MW2475.99 g/mol
LogP23.49
Rot. Bonds21
About N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 164954297) has the molecular formula C119H142Cl4FN29O5S8 and a molecular weight of 2475.99 g/mol. Its IUPAC name is N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.
Molecular Properties
| Compound Name | N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide |
|---|---|
| PubChem CID | 164954297 |
| Molecular Formula | C119H142Cl4FN29O5S8 |
| Molecular Weight | 2475.99 g/mol |
| Exact Mass | 2471.83 |
| IUPAC Name | N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide |
| SMILES | COc1ccc2c(c1)[C@@H](NS(=O)C(C)(C)C)C1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nccn34)CC1)C2.Cc1cc2c(cc1F)CC1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nccn34)CC1)[C@@H]2NS(=O)C(C)(C)C.Cc1cn2c(N3CCC4(CC3)Cc3ccccc3[C@H]4NS(=O)C(C)(C)C)nc(C)c(Sc3ccnc(N)c3Cl)c2n1.Cc1cn2c(N3CCC4(CC3)Cc3ncccc3[C@H]4NS(=O)C(C)(C)C)nc(C)c(Sc3ccnc(N)c3Cl)c2n1 |
| InChI | InChI=1S/C30H35ClFN7OS2.C30H36ClN7O2S2.C30H36ClN7OS2.C29H35ClN8OS2/c1-17-14-20-19(15-21(17)32)16-30(25(20)37-42(40)29(3,4)5)7-11-38(12-8-30)28-36-18(2)24(27-35-10-13-39(27)28)41-22-6-9-34-26(33)23(22)31;1-18-24(41-22-8-11-33-26(32)23(22)31)27-34-12-15-38(27)28(35-18)37-13-9-30(10-14-37)17-19-6-7-20(40-5)16-21(19)25(30)36-42(39)29(2,3)4;1-18-17-38-27(34-18)24(40-22-10-13-33-26(32)23(22)31)19(2)35-28(38)37-14-11-30(12-15-37)16-20-8-6-7-9-21(20)25(30)36-41(39)29(3,4)5;1-17-16-38-26(34-17)23(40-21-8-12-33-25(31)22(21)30)18(2)35-27(38)37-13-9-29(10-14-37)15-20-19(7-6-11-32-20)24(29)36-41(39)28(3,4)5/h6,9-10,13-15,25,37H,7-8,11-12,16H2,1-5H3,(H2,33,34);6-8,11-12,15-16,25,36H,9-10,13-14,17H2,1-5H3,(H2,32,33);6-10,13,17,25,36H,11-12,14-16H2,1-5H3,(H2,32,33);6-8,11-12,16,24,36H,9-10,13-15H2,1-5H3,(H2,31,33)/t2*25-,42?;25-,41?;24-,41?/m1111/s1 |
| InChIKey | AYOYTGBWQYUENW-GKFCMXMGSA-N |
| XLogP | 23.49 |
| TPSA | 427.88 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 166 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2475.99 |
| LogP ≤ 5 | 23.49 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 34 |
Frequently Asked Questions
What is the IUPAC name of N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 164954297) is N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is COc1ccc2c(c1)[C@@H](NS(=O)C(C)(C)C)C1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nccn34)CC1)C2.Cc1cc2c(cc1F)CC1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nccn34)CC1)[C@@H]2NS(=O)C(C)(C)C.Cc1cn2c(N3CCC4(CC3)Cc3ccccc3[C@H]4NS(=O)C(C)(C)C)nc(C)c(Sc3ccnc(N)c3Cl)c2n1.Cc1cn2c(N3CCC4(CC3)Cc3ncccc3[C@H]4NS(=O)C(C)(C)C)nc(C)c(Sc3ccnc(N)c3Cl)c2n1.
What is the InChIKey of N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is AYOYTGBWQYUENW-GKFCMXMGSA-N. The full InChI is InChI=1S/C30H35ClFN7OS2.C30H36ClN7O2S2.C30H36ClN7OS2.C29H35ClN8OS2/c1-17-14-20-19(15-21(17)32)16-30(25(20)37-42(40)29(3,4)5)7-11-38(12-8-30)28-36-18(2)24(27-35-10-13-39(27)28)41-22-6-9-34-26(33)23(22)31;1-18-24(41-22-8-11-33-26(32)23(22)31)27-34-12-15-38(27)28(35-18)37-13-9-30(10-14-37)17-19-6-7-20(40-5)16-21(19)25(30)36-42(39)29(2,3)4;1-18-17-38-27(34-18)24(40-22-10-13-33-26(32)23(22)31)19(2)35-28(38)37-14-11-30(12-15-37)16-20-8-6-7-9-21(20)25(30)36-41(39)29(3,4)5;1-17-16-38-26(34-17)23(40-21-8-12-33-25(31)22(21)30)18(2)35-27(38)37-13-9-29(10-14-37)15-20-19(7-6-11-32-20)24(29)36-41(39)28(3,4)5/h6,9-10,13-15,25,37H,7-8,11-12,16H2,1-5H3,(H2,33,34);6-8,11-12,15-16,25,36H,9-10,13-14,17H2,1-5H3,(H2,32,33);6-10,13,17,25,36H,11-12,14-16H2,1-5H3,(H2,32,33);6-8,11-12,16,24,36H,9-10,13-15H2,1-5H3,(H2,31,33)/t2*25-,42?;25-,41?;24-,41?/m1111/s1.
What are the key properties of N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 2475.99 g/mol, XLogP of 23.49, 21 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 164954297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 164954297 — identifiers, structure, computed properties (public domain)
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