C161H166F7N23O13S3 — CID 161078352
N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide;N-[5-[(3,5-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;methane (PubChem CID 161078352) has the molecular formula C161H166F7N23O13S3 and a molecular weight of 2860.43 g/mol. Its IUPAC name is N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide;N-[5-[(3,5-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;methane.
| Compound Name | N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide;N-[5-[(3,5-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;methane |
|---|---|
| PubChem CID | 161078352 |
| Molecular Formula | C161H166F7N23O13S3 |
| Molecular Weight | 2860.43 g/mol |
| Exact Mass | 2858.21 |
| IUPAC Name | N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;N-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenyl]-5-(1,2-oxazol-4-yl)pyridine-3-carboxamide;N-[5-[(3,5-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]-5-thiophen-2-ylpyridine-3-carboxamide;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;methane |
| SMILES | C.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(NC(=O)c4cncc(-c5cnn(C)c5)c4)c3)cc2C(C)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(C)c(NC(=O)c4cncc(-c5cnoc5)c4)c3)cc2C(C)(F)F)CC1.CCN1CCN(c2ccc(NC(=O)c3ccc(C)c(CC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1.Cc1ccc(C(=O)Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)cc1NC(=O)c1cncc(-c2cccs2)c1.Cc1ccc(C(=O)Nc2cccc(C(C)(C)C#N)c2)cc1CC(=O)c1cncc(-c2cccs2)c1 |
| InChI | InChI=1S/C34H38F2N6O2.C33H35F2N5O3.C32H31F3N4O2S.C32H33N5O4S.C29H25N3O2S.CH4/c1-5-41-10-12-42(13-11-41)22-26-9-7-24(14-30(26)34(3,35)36)15-32(43)25-8-6-23(2)31(17-25)39-33(44)28-16-27(18-37-19-28)29-20-38-40(4)21-29;1-4-39-9-11-40(12-10-39)20-25-8-6-23(13-29(25)33(3,34)35)14-31(41)24-7-5-22(2)30(16-24)38-32(42)27-15-26(17-36-18-27)28-19-37-43-21-28;1-3-38-10-12-39(13-11-38)28-9-8-26(18-27(28)32(33,34)35)37-31(41)22-7-6-21(2)23(15-22)17-29(40)24-16-25(20-36-19-24)30-5-4-14-42-30;1-22-4-5-23(16-29(22)35-32(39)25-15-24(20-33-21-25)30-3-2-14-42-30)31(38)34-26-17-27(36-6-10-40-11-7-36)19-28(18-26)37-8-12-41-13-9-37;1-19-9-10-20(28(34)32-25-7-4-6-24(15-25)29(2,3)18-30)12-21(19)14-26(33)22-13-23(17-31-16-22)27-8-5-11-35-27;/h6-9,14,16-21H,5,10-13,15,22H2,1-4H3,(H,39,44);5-8,13,15-19,21H,4,9-12,14,20H2,1-3H3,(H,38,42);4-9,14-16,18-20H,3,10-13,17H2,1-2H3,(H,37,41);2-5,14-21H,6-13H2,1H3,(H,34,38)(H,35,39);4-13,15-17H,14H2,1-3H3,(H,32,34);1H4 |
| InChIKey | UFOSBGUXWXBMNF-UHFFFAOYSA-N |
| XLogP | 31.18 |
| TPSA | 419.35 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 207 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2860.43 |
| LogP ≤ 5 | 31.18 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'} |
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