C151H151N29O10S3 — CID 158448583
3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-6-carboxamide;[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-(3-methylpyrrolidin-1-yl)methanone;1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methylsulfonylbutan-1-one;3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N-methyl-N-(2-methylsulfonylethyl)-1H-indole-7-carboxamide;5-[4-[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(1H-pyrrolo[2,3-c]pyridin-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 158448583) has the molecular formula C151H151N29O10S3 and a molecular weight of 2628.26 g/mol. Its IUPAC name is 3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-6-carboxamide;[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-(3-methylpyrrolidin-1-yl)methanone;1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methylsulfonylbutan-1-one;3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N-methyl-N-(2-methylsulfonylethyl)-1H-indole-7-carboxamide;5-[4-[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(1H-pyrrolo[2,3-c]pyridin-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine.
| Compound Name | 3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-6-carboxamide;[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-(3-methylpyrrolidin-1-yl)methanone;1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methylsulfonylbutan-1-one;3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N-methyl-N-(2-methylsulfonylethyl)-1H-indole-7-carboxamide;5-[4-[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(1H-pyrrolo[2,3-c]pyridin-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine |
|---|---|
| PubChem CID | 158448583 |
| Molecular Formula | C151H151N29O10S3 |
| Molecular Weight | 2628.26 g/mol |
| Exact Mass | 2626.14 |
| IUPAC Name | 3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-6-carboxamide;[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-(3-methylpyrrolidin-1-yl)methanone;1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methylsulfonylbutan-1-one;3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N-methyl-N-(2-methylsulfonylethyl)-1H-indole-7-carboxamide;5-[4-[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-(1H-pyrrolo[2,3-c]pyridin-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine |
| SMILES | CC1CCN(C(=O)c2cccc3c(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)c[nH]c23)C1.CN(CCS(C)(=O)=O)C(=O)c1cccc2c(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)c[nH]c12.CS(=O)(=O)CCCC(=O)c1cccc2c(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)c[nH]c12.Nc1ncc(-c2ccc(C3(c4c[nH]c5cc(C(=O)NC6CCS(=O)(=O)C6)ccc45)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4c[nH]c5cccnc45)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4c[nH]c5cnccc45)CCC3)cc2)cn1 |
| InChI | InChI=1S/C28H29N5O.C27H27N5O3S.C27H29N5O3S.C27H28N4O3S.2C21H19N5/c1-18-10-13-33(17-18)26(34)23-5-2-4-22-24(16-30-25(22)23)28(11-3-12-28)21-8-6-19(7-9-21)20-14-31-27(29)32-15-20;28-26-30-13-19(14-31-26)17-2-5-20(6-3-17)27(9-1-10-27)23-15-29-24-12-18(4-7-22(23)24)25(33)32-21-8-11-36(34,35)16-21;1-32(13-14-36(2,34)35)25(33)22-6-3-5-21-23(17-29-24(21)22)27(11-4-12-27)20-9-7-18(8-10-20)19-15-30-26(28)31-16-19;1-35(33,34)14-3-7-24(32)22-6-2-5-21-23(17-29-25(21)22)27(12-4-13-27)20-10-8-18(9-11-20)19-15-30-26(28)31-16-19;22-20-25-10-15(11-26-20)14-2-4-16(5-3-14)21(7-1-8-21)18-12-24-19-13-23-9-6-17(18)19;22-20-25-11-15(12-26-20)14-4-6-16(7-5-14)21(8-2-9-21)17-13-24-18-3-1-10-23-19(17)18/h2,4-9,14-16,18,30H,3,10-13,17H2,1H3,(H2,29,31,32);2-7,12-15,21,29H,1,8-11,16H2,(H,32,33)(H2,28,30,31);3,5-10,15-17,29H,4,11-14H2,1-2H3,(H2,28,30,31);2,5-6,8-11,15-17,29H,3-4,7,12-14H2,1H3,(H2,28,30,31);2-6,9-13,24H,1,7-8H2,(H2,22,25,26);1,3-7,10-13,24H,2,8-9H2,(H2,22,25,26) |
| InChIKey | HDRRLJBZRCZDSK-UHFFFAOYSA-N |
| XLogP | 25.38 |
| TPSA | 620.53 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 193 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2628.26 |
| LogP ≤ 5 | 25.38 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 30 |