C106H111F5N30O5 — CID 159764559
N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide (PubChem CID 159764559) has the molecular formula C106H111F5N30O5 and a molecular weight of 1980.25 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide.
| Compound Name | N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide |
|---|---|
| PubChem CID | 159764559 |
| Molecular Formula | C106H111F5N30O5 |
| Molecular Weight | 1980.25 g/mol |
| Exact Mass | 1978.93 |
| IUPAC Name | N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(imidazol-1-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(6-methylpyrazin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(2-methylpyrimidin-4-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide |
| SMILES | Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cn3cccn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(NC(=O)N2CC(Cn3ccnc3)C2)n1.Cc1cnc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)cn1.Cc1cncc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)n1.Cc1nccc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4C)ccc3N)C2)n1 |
| InChI | InChI=1S/3C22H23FN6O.2C20H21FN6O/c1-13-7-16(23)3-4-18(13)20-6-5-19(24)21(27-20)28-22(30)29-11-15(12-29)8-17-10-25-14(2)9-26-17;1-13-7-16(23)3-4-18(13)20-6-5-19(24)21(27-20)28-22(30)29-11-15(12-29)8-17-10-25-9-14(2)26-17;1-13-9-16(23)3-4-18(13)20-6-5-19(24)21(27-20)28-22(30)29-11-15(12-29)10-17-7-8-25-14(2)26-17;1-13-9-15(21)3-4-16(13)18-6-5-17(22)19(24-18)25-20(28)26-10-14(11-26)12-27-8-2-7-23-27;1-13-8-15(21)2-3-16(13)18-5-4-17(22)19(24-18)25-20(28)27-10-14(11-27)9-26-7-6-23-12-26/h2*3-7,9-10,15H,8,11-12,24H2,1-2H3,(H,27,28,30);3-9,15H,10-12,24H2,1-2H3,(H,27,28,30);2-9,14H,10-12,22H2,1H3,(H,24,25,28);2-8,12,14H,9-11,22H2,1H3,(H,24,25,28) |
| InChIKey | NFIIBBGSIGHYTE-UHFFFAOYSA-N |
| XLogP | 17.03 |
| TPSA | 469.23 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1980.25 |
| LogP ≤ 5 | 17.03 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 25 |