N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide
C154H152F12N44O6S3 — CID 158768750
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide
SMILESCc1nc(C(=O)NC2CCCC(Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cc1nc(C(=O)N[C@@H]2CCC[C@H](Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cn1ccc2c(NC3CCCC(NC(=O)c4cnc[nH]4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.Cn1ccc2c(N[C@@H]3CCC[C@H](NC(=O)c4cnc[nH]4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.Cn1ccc2c(N[C@H]3CCC[C@@H](NC(=O)N4CCCC4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21
InChIInChI=1S/3C26H25F2N7OS.C26H29F2N7O.2C25H24F2N8O/c3*1-13-30-21(12-37-13)26(36)32-16-5-3-4-15(10-16)31-23-17-6-7-35(2)25(17)34-24(33-23)19-11-29-22-18(19)8-14(27)9-20(22)28;1-34-10-7-18-23(30-16-5-4-6-17(13-16)31-26(36)35-8-2-3-9-35)32-24(33-25(18)34)20-14-29-22-19(20)11-15(27)12-21(22)28;2*1-35-6-5-16-22(31-14-3-2-4-15(9-14)32-25(36)20-11-28-12-30-20)33-23(34-24(16)35)18-10-29-21-17(18)7-13(26)8-19(21)27/h3*6-9,11-12,15-16,29H,3-5,10H2,1-2H3,(H,32,36)(H,31,33,34);7,10-12,14,16-17,29H,2-6,8-9,13H2,1H3,(H,31,36)(H,30,32,33);2*5-8,10-12,14-15,29H,2-4,9H2,1H3,(H,28,30)(H,32,36)(H,31,33,34)/t2*15-,16+;;16-,17+;14-,15+;/m10.01./s1
InChIKeyIPPFCQOOSVUSNI-WREFQYENSA-N
MW3039.39 g/mol
LogP29.40
Rot. Bonds29
About N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide
N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide (PubChem CID 158768750) has the molecular formula C154H152F12N44O6S3 and a molecular weight of 3039.39 g/mol. Its IUPAC name is N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide.
Molecular Properties
| Compound Name | N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide |
|---|---|
| PubChem CID | 158768750 |
| Molecular Formula | C154H152F12N44O6S3 |
| Molecular Weight | 3039.39 g/mol |
| Exact Mass | 3037.19 |
| IUPAC Name | N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide |
| SMILES | Cc1nc(C(=O)NC2CCCC(Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cc1nc(C(=O)N[C@@H]2CCC[C@H](Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cn1ccc2c(NC3CCCC(NC(=O)c4cnc[nH]4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.Cn1ccc2c(N[C@@H]3CCC[C@H](NC(=O)c4cnc[nH]4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.Cn1ccc2c(N[C@H]3CCC[C@@H](NC(=O)N4CCCC4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21 |
| InChI | InChI=1S/3C26H25F2N7OS.C26H29F2N7O.2C25H24F2N8O/c3*1-13-30-21(12-37-13)26(36)32-16-5-3-4-15(10-16)31-23-17-6-7-35(2)25(17)34-24(33-23)19-11-29-22-18(19)8-14(27)9-20(22)28;1-34-10-7-18-23(30-16-5-4-6-17(13-16)31-26(36)35-8-2-3-9-35)32-24(33-25(18)34)20-14-29-22-19(20)11-15(27)12-21(22)28;2*1-35-6-5-16-22(31-14-3-2-4-15(9-14)32-25(36)20-11-28-12-30-20)33-23(34-24(16)35)18-10-29-21-17(18)7-13(26)8-19(21)27/h3*6-9,11-12,15-16,29H,3-5,10H2,1-2H3,(H,32,36)(H,31,33,34);7,10-12,14,16-17,29H,2-6,8-9,13H2,1H3,(H,31,36)(H,30,32,33);2*5-8,10-12,14-15,29H,2-4,9H2,1H3,(H,28,30)(H,32,36)(H,31,33,34)/t2*15-,16+;;16-,17+;14-,15+;/m10.01./s1 |
| InChIKey | IPPFCQOOSVUSNI-WREFQYENSA-N |
| XLogP | 29.40 |
| TPSA | 625.05 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 219 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3039.39 |
| LogP ≤ 5 | 29.40 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 38 |
Frequently Asked Questions
What is the IUPAC name of N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide (CID 158768750) is N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide is Cc1nc(C(=O)NC2CCCC(Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cc1nc(C(=O)N[C@@H]2CCC[C@H](Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cn1ccc2c(NC3CCCC(NC(=O)c4cnc[nH]4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.Cn1ccc2c(N[C@@H]3CCC[C@H](NC(=O)c4cnc[nH]4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.Cn1ccc2c(N[C@H]3CCC[C@@H](NC(=O)N4CCCC4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.
What is the InChIKey of N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide?
The InChIKey is IPPFCQOOSVUSNI-WREFQYENSA-N. The full InChI is InChI=1S/3C26H25F2N7OS.C26H29F2N7O.2C25H24F2N8O/c3*1-13-30-21(12-37-13)26(36)32-16-5-3-4-15(10-16)31-23-17-6-7-35(2)25(17)34-24(33-23)19-11-29-22-18(19)8-14(27)9-20(22)28;1-34-10-7-18-23(30-16-5-4-6-17(13-16)31-26(36)35-8-2-3-9-35)32-24(33-25(18)34)20-14-29-22-19(20)11-15(27)12-21(22)28;2*1-35-6-5-16-22(31-14-3-2-4-15(9-14)32-25(36)20-11-28-12-30-20)33-23(34-24(16)35)18-10-29-21-17(18)7-13(26)8-19(21)27/h3*6-9,11-12,15-16,29H,3-5,10H2,1-2H3,(H,32,36)(H,31,33,34);7,10-12,14,16-17,29H,2-6,8-9,13H2,1H3,(H,31,36)(H,30,32,33);2*5-8,10-12,14-15,29H,2-4,9H2,1H3,(H,28,30)(H,32,36)(H,31,33,34)/t2*15-,16+;;16-,17+;14-,15+;/m10.01./s1.
What are the key properties of N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide?
N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide has a molecular weight of 3039.39 g/mol, XLogP of 29.40, 29 rotatable bonds, 20 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 158768750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158768750 — identifiers, structure, computed properties (public domain)
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