C162H181Cl6F3N32O7S3 — CID 159388179
5-[4-[3-chloro-5-(cyclopentylamino)-2-pyridinyl]pyrazol-1-yl]-1-(cyclopropylmethyl)pyridin-2-one;4-[4-[2-chloro-4-(3-methylbutyl)phenyl]pyrazol-1-yl]-2-propylpyridine;3-chloro-N-propan-2-yl-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-[3-chloro-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-chloro-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[3-chloro-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-(3-methylbutyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;4-[4-[5-(3-methylbutyl)-2-pyridinyl]pyrazol-1-yl]-2-propylpyridine (PubChem CID 159388179) has the molecular formula C162H181Cl6F3N32O7S3 and a molecular weight of 3054.36 g/mol. Its IUPAC name is 5-[4-[3-chloro-5-(cyclopentylamino)-2-pyridinyl]pyrazol-1-yl]-1-(cyclopropylmethyl)pyridin-2-one;4-[4-[2-chloro-4-(3-methylbutyl)phenyl]pyrazol-1-yl]-2-propylpyridine;3-chloro-N-propan-2-yl-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-[3-chloro-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-chloro-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[3-chloro-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-(3-methylbutyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;4-[4-[5-(3-methylbutyl)-2-pyridinyl]pyrazol-1-yl]-2-propylpyridine.
| Compound Name | 5-[4-[3-chloro-5-(cyclopentylamino)-2-pyridinyl]pyrazol-1-yl]-1-(cyclopropylmethyl)pyridin-2-one;4-[4-[2-chloro-4-(3-methylbutyl)phenyl]pyrazol-1-yl]-2-propylpyridine;3-chloro-N-propan-2-yl-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-[3-chloro-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-chloro-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[3-chloro-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-(3-methylbutyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;4-[4-[5-(3-methylbutyl)-2-pyridinyl]pyrazol-1-yl]-2-propylpyridine |
|---|---|
| PubChem CID | 159388179 |
| Molecular Formula | C162H181Cl6F3N32O7S3 |
| Molecular Weight | 3054.36 g/mol |
| Exact Mass | 3049.20 |
| IUPAC Name | 5-[4-[3-chloro-5-(cyclopentylamino)-2-pyridinyl]pyrazol-1-yl]-1-(cyclopropylmethyl)pyridin-2-one;4-[4-[2-chloro-4-(3-methylbutyl)phenyl]pyrazol-1-yl]-2-propylpyridine;3-chloro-N-propan-2-yl-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-[3-chloro-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[3-chloro-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[3-chloro-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-(3-methylbutyl)-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;4-[4-[5-(3-methylbutyl)-2-pyridinyl]pyrazol-1-yl]-2-propylpyridine |
| SMILES | CCCc1cc(-n2cc(-c3ccc(CCC(C)C)cc3Cl)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(CCC(C)C)cn3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(CCC(C)C)nc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NC(C)C)cc3Cl)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)C(F)(F)F)cc3Cl)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)C4CC4)cc3Cl)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NS(C)(=O)=O)cc3Cl)cn2)ccn1.O=c1ccc(-n2cc(-c3ncc(NC4CCCC4)cc3Cl)cn2)cn1CC1CC1 |
| InChI | InChI=1S/C22H24ClN5O.C22H26ClN3.2C21H26N4.C20H21ClN4O2S.C20H23ClN4.C18H16ClF3N4O2S.C18H19ClN4O2S/c23-20-9-18(26-17-3-1-2-4-17)11-24-22(20)16-10-25-28(13-16)19-7-8-21(29)27(14-19)12-15-5-6-15;1-4-5-19-13-20(10-11-24-19)26-15-18(14-25-26)21-9-8-17(12-22(21)23)7-6-16(2)3;1-4-5-20-12-21(10-11-22-20)25-15-18(14-24-25)17-7-9-19(23-13-17)8-6-16(2)3;1-4-5-19-12-20(10-11-22-19)25-15-18(14-24-25)21-9-8-17(13-23-21)7-6-16(2)3;1-2-3-15-10-17(8-9-22-15)25-13-14(12-23-25)19-7-4-16(11-20(19)21)24-28(26,27)18-5-6-18;1-4-5-16-10-18(8-9-22-16)25-13-15(12-23-25)19-7-6-17(11-20(19)21)24-14(2)3;1-2-3-13-8-15(6-7-23-13)26-11-12(10-24-26)16-5-4-14(9-17(16)19)25-29(27,28)18(20,21)22;1-3-4-14-9-16(7-8-20-14)23-12-13(11-21-23)17-6-5-15(10-18(17)19)22-26(2,24)25/h7-11,13-15,17,26H,1-6,12H2;8-16H,4-7H2,1-3H3;7,9-16H,4-6,8H2,1-3H3;8-16H,4-7H2,1-3H3;4,7-13,18,24H,2-3,5-6H2,1H3;6-14,24H,4-5H2,1-3H3;4-11,25H,2-3H2,1H3;5-12,22H,3-4H2,1-2H3 |
| InChIKey | LLTRTDOYSJODKX-UHFFFAOYSA-N |
| XLogP | 38.90 |
| TPSA | 456.03 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 213 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3054.36 |
| LogP ≤ 5 | 38.90 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 36 |