N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;4-methoxy-N-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridin-2-amine;tris(platinum(2+));2-N,4-N,4-N-triphenyl-2-N-[4-(N-phenylanilino)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine-2,4-diamine
C102H69F18N23O2Pt3 — CID 157075054
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;4-methoxy-N-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridin-2-amine;tris(platinum(2+));2-N,4-N,4-N-triphenyl-2-N-[4-(N-phenylanilino)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine-2,4-diamine
SMILESCC(C)(C)c1ccc(N(c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)cc1.COc1cc(N(c2ccccc2)c2cc(OC)cc(-n3[c-]cc(C(F)(F)F)n3)n2)nc(-n2[c-]cc(C(F)(F)F)n2)c1.FC(F)(F)c1c[c-]n(-c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C48H31F6N9.C28H21F6N7.C26H17F6N7O2.3Pt/c49-47(50,51)41-26-28-59(57-41)43-30-39(61(34-16-6-1-7-17-34)35-18-8-2-9-19-35)32-45(55-43)63(38-24-14-5-15-25-38)46-33-40(31-44(56-46)60-29-27-42(58-60)48(52,53)54)62(36-20-10-3-11-21-36)37-22-12-4-13-23-37;1-26(2,3)18-10-12-19(13-11-18)41(24-8-4-6-22(35-24)39-16-14-20(37-39)27(29,30)31)25-9-5-7-23(36-25)40-17-15-21(38-40)28(32,33)34;1-40-17-12-21(37-10-8-19(35-37)25(27,28)29)33-23(14-17)39(16-6-4-3-5-7-16)24-15-18(41-2)13-22(34-24)38-11-9-20(36-38)26(30,31)32;;;/h1-27,30-33H;4-15H,1-3H3;3-9,12-15H,1-2H3;;;/q3*-2;3*+2
InChIKeyVNWHQVCIGTWKJM-UHFFFAOYSA-N
MW2576.03 g/mol
LogP26.11
Rot. Bonds23
About N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;4-methoxy-N-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridin-2-amine;tris(platinum(2+));2-N,4-N,4-N-triphenyl-2-N-[4-(N-phenylanilino)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine-2,4-diamine
N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;4-methoxy-N-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridin-2-amine;tris(platinum(2+));2-N,4-N,4-N-triphenyl-2-N-[4-(N-phenylanilino)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine-2,4-diamine (PubChem CID 157075054) has the molecular formula C102H69F18N23O2Pt3 and a molecular weight of 2576.03 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;4-methoxy-N-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridin-2-amine;tris(platinum(2+));2-N,4-N,4-N-triphenyl-2-N-[4-(N-phenylanilino)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine-2,4-diamine.
Molecular Properties
| Compound Name | N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;4-methoxy-N-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridin-2-amine;tris(platinum(2+));2-N,4-N,4-N-triphenyl-2-N-[4-(N-phenylanilino)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine-2,4-diamine |
|---|---|
| PubChem CID | 157075054 |
| Molecular Formula | C102H69F18N23O2Pt3 |
| Molecular Weight | 2576.03 g/mol |
| Exact Mass | 2574.47 |
| IUPAC Name | N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;4-methoxy-N-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridin-2-amine;tris(platinum(2+));2-N,4-N,4-N-triphenyl-2-N-[4-(N-phenylanilino)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine-2,4-diamine |
| SMILES | CC(C)(C)c1ccc(N(c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)cc1.COc1cc(N(c2ccccc2)c2cc(OC)cc(-n3[c-]cc(C(F)(F)F)n3)n2)nc(-n2[c-]cc(C(F)(F)F)n2)c1.FC(F)(F)c1c[c-]n(-c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/C48H31F6N9.C28H21F6N7.C26H17F6N7O2.3Pt/c49-47(50,51)41-26-28-59(57-41)43-30-39(61(34-16-6-1-7-17-34)35-18-8-2-9-19-35)32-45(55-43)63(38-24-14-5-15-25-38)46-33-40(31-44(56-46)60-29-27-42(58-60)48(52,53)54)62(36-20-10-3-11-21-36)37-22-12-4-13-23-37;1-26(2,3)18-10-12-19(13-11-18)41(24-8-4-6-22(35-24)39-16-14-20(37-39)27(29,30)31)25-9-5-7-23(36-25)40-17-15-21(38-40)28(32,33)34;1-40-17-12-21(37-10-8-19(35-37)25(27,28)29)33-23(14-17)39(16-6-4-3-5-7-16)24-15-18(41-2)13-22(34-24)38-11-9-20(36-38)26(30,31)32;;;/h1-27,30-33H;4-15H,1-3H3;3-9,12-15H,1-2H3;;;/q3*-2;3*+2 |
| InChIKey | VNWHQVCIGTWKJM-UHFFFAOYSA-N |
| XLogP | 26.11 |
| TPSA | 218.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 148 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2576.03 |
| LogP ≤ 5 | 26.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;4-methoxy-N-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridin-2-amine;tris(platinum(2+));2-N,4-N,4-N-triphenyl-2-N-[4-(N-phenylanilino)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine-2,4-diamine?
The IUPAC name of N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;4-methoxy-N-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridin-2-amine;tris(platinum(2+));2-N,4-N,4-N-triphenyl-2-N-[4-(N-phenylanilino)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine-2,4-diamine (CID 157075054) is N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;4-methoxy-N-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridin-2-amine;tris(platinum(2+));2-N,4-N,4-N-triphenyl-2-N-[4-(N-phenylanilino)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine-2,4-diamine.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;4-methoxy-N-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridin-2-amine;tris(platinum(2+));2-N,4-N,4-N-triphenyl-2-N-[4-(N-phenylanilino)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine-2,4-diamine?
The canonical SMILES for N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;4-methoxy-N-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridin-2-amine;tris(platinum(2+));2-N,4-N,4-N-triphenyl-2-N-[4-(N-phenylanilino)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine-2,4-diamine is CC(C)(C)c1ccc(N(c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)cc1.COc1cc(N(c2ccccc2)c2cc(OC)cc(-n3[c-]cc(C(F)(F)F)n3)n2)nc(-n2[c-]cc(C(F)(F)F)n2)c1.FC(F)(F)c1c[c-]n(-c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;4-methoxy-N-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridin-2-amine;tris(platinum(2+));2-N,4-N,4-N-triphenyl-2-N-[4-(N-phenylanilino)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine-2,4-diamine?
The InChIKey is VNWHQVCIGTWKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31F6N9.C28H21F6N7.C26H17F6N7O2.3Pt/c49-47(50,51)41-26-28-59(57-41)43-30-39(61(34-16-6-1-7-17-34)35-18-8-2-9-19-35)32-45(55-43)63(38-24-14-5-15-25-38)46-33-40(31-44(56-46)60-29-27-42(58-60)48(52,53)54)62(36-20-10-3-11-21-36)37-22-12-4-13-23-37;1-26(2,3)18-10-12-19(13-11-18)41(24-8-4-6-22(35-24)39-16-14-20(37-39)27(29,30)31)25-9-5-7-23(36-25)40-17-15-21(38-40)28(32,33)34;1-40-17-12-21(37-10-8-19(35-37)25(27,28)29)33-23(14-17)39(16-6-4-3-5-7-16)24-15-18(41-2)13-22(34-24)38-11-9-20(36-38)26(30,31)32;;;/h1-27,30-33H;4-15H,1-3H3;3-9,12-15H,1-2H3;;;/q3*-2;3*+2.
What are the key properties of N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;4-methoxy-N-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridin-2-amine;tris(platinum(2+));2-N,4-N,4-N-triphenyl-2-N-[4-(N-phenylanilino)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine-2,4-diamine?
N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;4-methoxy-N-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridin-2-amine;tris(platinum(2+));2-N,4-N,4-N-triphenyl-2-N-[4-(N-phenylanilino)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine-2,4-diamine has a molecular weight of 2576.03 g/mol, XLogP of 26.11, 23 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;4-methoxy-N-[4-methoxy-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridin-2-amine;tris(platinum(2+));2-N,4-N,4-N-triphenyl-2-N-[4-(N-phenylanilino)-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine-2,4-diamine is sourced from PubChem (CID 157075054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157075054 — identifiers, structure, computed properties (public domain)
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