N-phenyl-N-(1-phenylpyrazol-3-yl)-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine;platinum(2+)

C27H17F3N4Pt — CID 59660981

IUPACN-phenyl-N-(1-phenylpyrazol-3-yl)-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine;platinum(2+)
SMILESFC(F)(F)c1cc[c-]c(-c2cccc(N(c3ccccc3)c3ccn(-c4[c-]cccc4)n3)n2)c1.[Pt+2]
InChIInChI=1S/C27H17F3N4.Pt/c28-27(29,30)21-10-7-9-20(19-21)24-15-8-16-25(31-24)34(23-13-5-2-6-14-23)26-17-18-33(32-26)22-11-3-1-4-12-22;/h1-8,10-11,13-19H;/q-2;+2
InChIKeyWSMXDUPPMLPJFA-UHFFFAOYSA-N
MW649.53 g/mol
LogP7.02
Rot. Bonds5

About N-phenyl-N-(1-phenylpyrazol-3-yl)-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine;platinum(2+)

N-phenyl-N-(1-phenylpyrazol-3-yl)-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine;platinum(2+) (PubChem CID 59660981) has the molecular formula C27H17F3N4Pt and a molecular weight of 649.53 g/mol. Its IUPAC name is N-phenyl-N-(1-phenylpyrazol-3-yl)-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine;platinum(2+).

Molecular Properties

Compound NameN-phenyl-N-(1-phenylpyrazol-3-yl)-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine;platinum(2+)
PubChem CID59660981
Molecular FormulaC27H17F3N4Pt
Molecular Weight649.53 g/mol
Exact Mass649.11
IUPAC NameN-phenyl-N-(1-phenylpyrazol-3-yl)-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine;platinum(2+)
SMILESFC(F)(F)c1cc[c-]c(-c2cccc(N(c3ccccc3)c3ccn(-c4[c-]cccc4)n3)n2)c1.[Pt+2]
InChIInChI=1S/C27H17F3N4.Pt/c28-27(29,30)21-10-7-9-20(19-21)24-15-8-16-25(31-24)34(23-13-5-2-6-14-23)26-17-18-33(32-26)22-11-3-1-4-12-22;/h1-8,10-11,13-19H;/q-2;+2
InChIKeyWSMXDUPPMLPJFA-UHFFFAOYSA-N
XLogP7.02
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.53
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

6-Tert-butyl-4-(3,3-difluoropyrrolidin-1-yl)-1-(2-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 90398894
5-(4-Phenylpiperazin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 134852604
(11R,15S)-8-methyl-N-phenyl-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-5-amine
CID 46240090
2-[4-[difluoro-[6-[4-isocyano-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-4-(N-phenylanilino)-2-pyridinyl]methyl]pyrimidin-2-yl]-5-(trifluoromethyl)-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)
CID 57622645
N-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine;platinum(2+)
CID 57739625
platinum(2+);2-[4-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine
CID 57806560
6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;platinum(2+)
CID 57852159
6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-4-N,4-N-dimethyl-2-N-phenyl-2-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridine-2,4-diamine;platinum(2+)
CID 57852478
6-(6-fluoro-4H-pyridin-4-id-3-yl)-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;platinum(2+)
CID 57852512
6-(6-fluoro-4H-pyridin-4-id-3-yl)-4-methyl-N-phenyl-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;platinum(2+)
CID 57852526
2-methyl-4-[3-[2-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyrazol-1-yl]-5H-pyrimidin-5-ide;platinum(2+)
CID 57923379
2-[3-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)-3H-pyridin-3-ide;platinum(2+)
CID 57923646

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(1-phenylpyrazol-3-yl)-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine;platinum(2+)?
The IUPAC name of N-phenyl-N-(1-phenylpyrazol-3-yl)-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine;platinum(2+) (CID 59660981) is N-phenyl-N-(1-phenylpyrazol-3-yl)-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine;platinum(2+).
What is the SMILES notation for N-phenyl-N-(1-phenylpyrazol-3-yl)-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine;platinum(2+)?
The canonical SMILES for N-phenyl-N-(1-phenylpyrazol-3-yl)-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine;platinum(2+) is FC(F)(F)c1cc[c-]c(-c2cccc(N(c3ccccc3)c3ccn(-c4[c-]cccc4)n3)n2)c1.[Pt+2].
What is the InChIKey of N-phenyl-N-(1-phenylpyrazol-3-yl)-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine;platinum(2+)?
The InChIKey is WSMXDUPPMLPJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F3N4.Pt/c28-27(29,30)21-10-7-9-20(19-21)24-15-8-16-25(31-24)34(23-13-5-2-6-14-23)26-17-18-33(32-26)22-11-3-1-4-12-22;/h1-8,10-11,13-19H;/q-2;+2.
What are the key properties of N-phenyl-N-(1-phenylpyrazol-3-yl)-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine;platinum(2+)?
N-phenyl-N-(1-phenylpyrazol-3-yl)-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine;platinum(2+) has a molecular weight of 649.53 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(1-phenylpyrazol-3-yl)-6-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 59660981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).