C150H187N35O7 — CID 159924054
N-[5-(1-ethylindol-3-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(1-ethylindol-5-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(1-ethylindol-6-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(2-methylquinolin-6-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(2-methylquinolin-6-yl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide (PubChem CID 159924054) has the molecular formula C150H187N35O7 and a molecular weight of 2592.38 g/mol. Its IUPAC name is N-[5-(1-ethylindol-3-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(1-ethylindol-5-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(1-ethylindol-6-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(2-methylquinolin-6-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(2-methylquinolin-6-yl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide.
| Compound Name | N-[5-(1-ethylindol-3-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(1-ethylindol-5-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(1-ethylindol-6-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(2-methylquinolin-6-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(2-methylquinolin-6-yl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide |
|---|---|
| PubChem CID | 159924054 |
| Molecular Formula | C150H187N35O7 |
| Molecular Weight | 2592.38 g/mol |
| Exact Mass | 2590.54 |
| IUPAC Name | N-[5-(1-ethylindol-3-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(1-ethylindol-5-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(1-ethylindol-6-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(2-methylquinolin-6-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide;N-[5-(2-methylquinolin-6-yl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide;4-piperidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide;4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide |
| SMILES | CCn1cc(-c2cc(NC(=O)CCCN3CCCCC3)n[nH]2)c2ccccc21.CCn1ccc2cc(-c3cc(NC(=O)CCCN4CCCCC4)n[nH]3)ccc21.CCn1ccc2ccc(-c3cc(NC(=O)CCCN4CCCCC4)n[nH]3)cc21.Cc1ccc2cc(-c3cc(NC(=O)CCCN4CCCC4)n[nH]3)ccc2n1.Cc1ccc2cc(-c3cc(NC(=O)CCCN4CCCCC4)n[nH]3)ccc2n1.O=C(CCCN1CCCC1)Nc1cc(-c2cnc3ccccc3c2)[nH]n1.O=C(CCCN1CCCCC1)Nc1cc(-c2cnc3ccccc3c2)[nH]n1 |
| InChI | InChI=1S/C22H27N5O.3C22H29N5O.2C21H25N5O.C20H23N5O/c1-16-7-8-17-14-18(9-10-19(17)23-16)20-15-21(26-25-20)24-22(28)6-5-13-27-11-3-2-4-12-27;1-2-27-16-18(17-9-4-5-10-20(17)27)19-15-21(25-24-19)23-22(28)11-8-14-26-12-6-3-7-13-26;1-2-27-14-10-18-15-17(8-9-20(18)27)19-16-21(25-24-19)23-22(28)7-6-13-26-11-4-3-5-12-26;1-2-27-14-10-17-8-9-18(15-20(17)27)19-16-21(25-24-19)23-22(28)7-6-13-26-11-4-3-5-12-26;1-15-6-7-16-13-17(8-9-18(16)22-15)19-14-20(25-24-19)23-21(27)5-4-12-26-10-2-3-11-26;27-21(9-6-12-26-10-4-1-5-11-26)23-20-14-19(24-25-20)17-13-16-7-2-3-8-18(16)22-15-17;26-20(8-5-11-25-9-3-4-10-25)22-19-13-18(23-24-19)16-12-15-6-1-2-7-17(15)21-14-16/h7-10,14-15H,2-6,11-13H2,1H3,(H2,24,25,26,28);4-5,9-10,15-16H,2-3,6-8,11-14H2,1H3,(H2,23,24,25,28);2*8-10,14-16H,2-7,11-13H2,1H3,(H2,23,24,25,28);6-9,13-14H,2-5,10-12H2,1H3,(H2,23,24,25,27);2-3,7-8,13-15H,1,4-6,9-12H2,(H2,23,24,25,27);1-2,6-7,12-14H,3-5,8-11H2,(H2,22,23,24,26) |
| InChIKey | NYTXWBYQGFOYSG-UHFFFAOYSA-N |
| XLogP | 27.92 |
| TPSA | 493.49 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 192 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2592.38 |
| LogP ≤ 5 | 27.92 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 28 |