C158H174FIN24NaO26Pt- — CID 159340483
sodium;(3-amino-4-pyridinyl)methanol;1-[4-[(3-amino-4-pyridinyl)methoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-[(4-nitronaphthalen-1-yl)oxymethyl]-3-pyridinyl]carbamate;carbanide;deuterio(iodo)methane;1-fluoro-4-nitronaphthalene;hydride;4-[(4-nitronaphthalen-1-yl)oxymethyl]pyridin-3-amine;platinum (PubChem CID 159340483) has the molecular formula C158H174FIN24NaO26Pt- and a molecular weight of 3190.25 g/mol. Its IUPAC name is sodium;(3-amino-4-pyridinyl)methanol;1-[4-[(3-amino-4-pyridinyl)methoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-[(4-nitronaphthalen-1-yl)oxymethyl]-3-pyridinyl]carbamate;carbanide;deuterio(iodo)methane;1-fluoro-4-nitronaphthalene;hydride;4-[(4-nitronaphthalen-1-yl)oxymethyl]pyridin-3-amine;platinum.
| Compound Name | sodium;(3-amino-4-pyridinyl)methanol;1-[4-[(3-amino-4-pyridinyl)methoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-[(4-nitronaphthalen-1-yl)oxymethyl]-3-pyridinyl]carbamate;carbanide;deuterio(iodo)methane;1-fluoro-4-nitronaphthalene;hydride;4-[(4-nitronaphthalen-1-yl)oxymethyl]pyridin-3-amine;platinum |
|---|---|
| PubChem CID | 159340483 |
| Molecular Formula | C158H174FIN24NaO26Pt- |
| Molecular Weight | 3190.25 g/mol |
| Exact Mass | 3188.17 |
| IUPAC Name | sodium;(3-amino-4-pyridinyl)methanol;1-[4-[(3-amino-4-pyridinyl)methoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-[(4-nitronaphthalen-1-yl)oxymethyl]-3-pyridinyl]carbamate;carbanide;deuterio(iodo)methane;1-fluoro-4-nitronaphthalene;hydride;4-[(4-nitronaphthalen-1-yl)oxymethyl]pyridin-3-amine;platinum |
| SMILES | CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnccc1COc1ccc(N)c2ccccc12.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnccc1COc1ccc([N+](=O)[O-])c2ccccc12.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccncc3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3ccccc23)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccncc3N)c3ccccc23)cc1.Nc1cnccc1CO.Nc1cnccc1COc1ccc([N+](=O)[O-])c2ccccc12.O=[N+]([O-])c1ccc(F)c2ccccc12.[2H]CI.[CH3-].[H-].[Na+].[Pt] |
| InChI | InChI=1S/C41H48N6O6.C31H32N6O2.C26H29N3O7.C26H31N3O5.C16H13N3O3.C10H6FNO2.C6H8N2O.CH3I.CH3.Na.Pt.H/c1-26-15-17-28(18-16-26)47-35(23-34(45-47)39(2,3)4)44-36(48)43-31-19-20-33(30-14-12-11-13-29(30)31)51-25-27-21-22-42-24-32(27)46(37(49)52-40(5,6)7)38(50)53-41(8,9)10;1-20-9-11-22(12-10-20)37-29(17-28(36-37)31(2,3)4)35-30(38)34-26-13-14-27(24-8-6-5-7-23(24)26)39-19-21-15-16-33-18-25(21)32;1-25(2,3)35-23(30)28(24(31)36-26(4,5)6)21-15-27-14-13-17(21)16-34-22-12-11-20(29(32)33)18-9-7-8-10-19(18)22;1-25(2,3)33-23(30)29(24(31)34-26(4,5)6)21-15-28-14-13-17(21)16-32-22-12-11-20(27)18-9-7-8-10-19(18)22;17-14-9-18-8-7-11(14)10-22-16-6-5-15(19(20)21)12-3-1-2-4-13(12)16;11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9;7-6-3-8-2-1-5(6)4-9;1-2;;;;/h11-24H,25H2,1-10H3,(H2,43,44,48);5-18H,19,32H2,1-4H3,(H2,34,35,38);7-15H,16H2,1-6H3;7-15H,16,27H2,1-6H3;1-9H,10,17H2;1-6H;1-3,9H,4,7H2;1H3;1H3;;;/q;;;;;;;;-1;+1;;-1/i;;;;;;;1D;;;; |
| InChIKey | ZKXLIMOSMPCLOJ-IEHJNSKQSA-N |
| XLogP | 34.19 |
| TPSA | 662.64 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 212 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3190.25 |
| LogP ≤ 5 | 34.19 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'} |
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