C105H99ClN30O10 — CID 159108652
5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid (PubChem CID 159108652) has the molecular formula C105H99ClN30O10 and a molecular weight of 1976.60 g/mol. Its IUPAC name is 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid.
| Compound Name | 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid |
|---|---|
| PubChem CID | 159108652 |
| Molecular Formula | C105H99ClN30O10 |
| Molecular Weight | 1976.60 g/mol |
| Exact Mass | 1974.78 |
| IUPAC Name | 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid |
| SMILES | Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc4ncccc4c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3cccc4cccnc34)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3cccc4ncccc34)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccnc4cc(Cl)ccc34)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccnc4ccccc34)cnn12 |
| InChI | InChI=1S/C21H19ClN6O2.4C21H20N6O2/c22-12-2-3-14-13(5-6-24-18(14)7-12)15-10-26-28-19(23)8-17(27-20(15)28)11-1-4-16(21(29)30)25-9-11;22-19-9-18(12-6-7-17(21(28)29)24-10-12)26-20-15(11-25-27(19)20)13-3-1-5-16-14(13)4-2-8-23-16;22-18-9-17(13-6-7-16(21(28)29)24-10-13)26-20-15(11-25-27(18)20)14-5-1-3-12-4-2-8-23-19(12)14;22-19-9-18(14-4-6-17(21(28)29)24-10-14)26-20-15(11-25-27(19)20)12-3-5-16-13(8-12)2-1-7-23-16;22-19-9-18(12-5-6-17(21(28)29)24-10-12)26-20-15(11-25-27(19)20)13-7-8-23-16-4-2-1-3-14(13)16/h2-3,5-8,10-11,16,25H,1,4,9,23H2,(H,29,30);1-5,8-9,11-12,17,24H,6-7,10,22H2,(H,28,29);1-5,8-9,11,13,16,24H,6-7,10,22H2,(H,28,29);1-3,5,7-9,11,14,17,24H,4,6,10,22H2,(H,28,29);1-4,7-9,11-12,17,24H,5-6,10,22H2,(H,28,29) |
| InChIKey | KEEZSLDJKGHQGR-UHFFFAOYSA-N |
| XLogP | 12.89 |
| TPSA | 592.15 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1976.60 |
| LogP ≤ 5 | 12.89 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 35 |