C141H147F10N31O21S — CID 159849536
2-[[4-fluoro-1-[6-(N-(5-fluoro-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-(6-fluoro-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-(5-fluoro-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]-N-methylsulfonylacetamide;2-[[4-fluoro-1-[6-(N-(5-fluoro-2-pyridinyl)-3-methoxyanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-(5-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid (PubChem CID 159849536) has the molecular formula C141H147F10N31O21S and a molecular weight of 2833.97 g/mol. Its IUPAC name is 2-[[4-fluoro-1-[6-(N-(5-fluoro-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-(6-fluoro-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-(5-fluoro-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]-N-methylsulfonylacetamide;2-[[4-fluoro-1-[6-(N-(5-fluoro-2-pyridinyl)-3-methoxyanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-(5-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid.
| Compound Name | 2-[[4-fluoro-1-[6-(N-(5-fluoro-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-(6-fluoro-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-(5-fluoro-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]-N-methylsulfonylacetamide;2-[[4-fluoro-1-[6-(N-(5-fluoro-2-pyridinyl)-3-methoxyanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-(5-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid |
|---|---|
| PubChem CID | 159849536 |
| Molecular Formula | C141H147F10N31O21S |
| Molecular Weight | 2833.97 g/mol |
| Exact Mass | 2832.09 |
| IUPAC Name | 2-[[4-fluoro-1-[6-(N-(5-fluoro-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-(6-fluoro-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-(5-fluoro-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]-N-methylsulfonylacetamide;2-[[4-fluoro-1-[6-(N-(5-fluoro-2-pyridinyl)-3-methoxyanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-(5-methoxy-2-pyridinyl)anilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;2-[[4-fluoro-1-[6-(N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid |
| SMILES | COc1ccc(N(c2ccccc2)c2cncc(N3CCC(F)(COCC(=O)O)CC3)n2)nc1.COc1cccc(N(c2ccc(F)cn2)c2cncc(N3CCC(F)(COCC(=O)O)CC3)n2)c1.CS(=O)(=O)NC(=O)COCC1(F)CCN(c2cncc(N(c3ccccc3)c3ccc(F)cn3)n2)CC1.O=C(O)COCC1(F)CCN(c2cncc(N(c3ccccc3)c3ccc(F)cn3)n2)CC1.O=C(O)COCC1(F)CCN(c2cncc(N(c3ccccc3)c3cccc(F)n3)n2)CC1.O=C(O)COCC1(F)CCN(c2cncc(N(c3ccccc3)c3ccccn3)n2)CC1 |
| InChI | InChI=1S/C24H26F2N6O4S.C24H25F2N5O4.C24H26FN5O4.2C23H23F2N5O3.C23H24FN5O3/c1-37(34,35)30-23(33)16-36-17-24(26)9-11-31(12-10-24)21-14-27-15-22(29-21)32(19-5-3-2-4-6-19)20-8-7-18(25)13-28-20;1-34-19-4-2-3-18(11-19)31(20-6-5-17(25)12-28-20)22-14-27-13-21(29-22)30-9-7-24(26,8-10-30)16-35-15-23(32)33;1-33-19-7-8-20(27-13-19)30(18-5-3-2-4-6-18)22-15-26-14-21(28-22)29-11-9-24(25,10-12-29)17-34-16-23(31)32;24-18-7-4-8-19(27-18)30(17-5-2-1-3-6-17)21-14-26-13-20(28-21)29-11-9-23(25,10-12-29)16-33-15-22(31)32;24-17-6-7-19(27-12-17)30(18-4-2-1-3-5-18)21-14-26-13-20(28-21)29-10-8-23(25,9-11-29)16-33-15-22(31)32;24-23(17-32-16-22(30)31)9-12-28(13-10-23)20-14-25-15-21(27-20)29(18-6-2-1-3-7-18)19-8-4-5-11-26-19/h2-8,13-15H,9-12,16-17H2,1H3,(H,30,33);2-6,11-14H,7-10,15-16H2,1H3,(H,32,33);2-8,13-15H,9-12,16-17H2,1H3,(H,31,32);1-8,13-14H,9-12,15-16H2,(H,31,32);1-7,12-14H,8-11,15-16H2,(H,31,32);1-8,11,14-15H,9-10,12-13,16-17H2,(H,30,31) |
| InChIKey | NPTGAWYYAADHFW-UHFFFAOYSA-N |
| XLogP | 22.07 |
| TPSA | 594.48 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 204 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2833.97 |
| LogP ≤ 5 | 22.07 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 46 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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