4-[difluoro-[4-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-phenylpyrimidine;platinum(2+)

C30H18F5N7Pt — CID 58444760

IUPAC4-[difluoro-[4-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-phenylpyrimidine;platinum(2+)
SMILESCc1c[c-]n(-c2nc(-c3ccccc3)cc(C(F)(F)c3cc(-c4ccccc4)cc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[Pt+2]
InChIInChI=1S/C30H18F5N7.Pt/c1-19-12-14-42(39-19)28-36-23(21-10-6-3-7-11-21)18-26(38-28)29(31,32)25-16-22(20-8-4-2-5-9-20)17-27(37-25)41-15-13-24(40-41)30(33,34)35;/h2-13,16-18H,1H3;/q-2;+2
InChIKeyXFFWCSKUIRKASG-UHFFFAOYSA-N
MW766.59 g/mol
LogP6.64
Rot. Bonds6

About 4-[difluoro-[4-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-phenylpyrimidine;platinum(2+)

4-[difluoro-[4-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-phenylpyrimidine;platinum(2+) (PubChem CID 58444760) has the molecular formula C30H18F5N7Pt and a molecular weight of 766.59 g/mol. Its IUPAC name is 4-[difluoro-[4-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-phenylpyrimidine;platinum(2+).

Molecular Properties

Compound Name4-[difluoro-[4-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-phenylpyrimidine;platinum(2+)
PubChem CID58444760
Molecular FormulaC30H18F5N7Pt
Molecular Weight766.59 g/mol
Exact Mass766.12
IUPAC Name4-[difluoro-[4-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-phenylpyrimidine;platinum(2+)
SMILESCc1c[c-]n(-c2nc(-c3ccccc3)cc(C(F)(F)c3cc(-c4ccccc4)cc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[Pt+2]
InChIInChI=1S/C30H18F5N7.Pt/c1-19-12-14-42(39-19)28-36-23(21-10-6-3-7-11-21)18-26(38-28)29(31,32)25-16-22(20-8-4-2-5-9-20)17-27(37-25)41-15-13-24(40-41)30(33,34)35;/h2-13,16-18H,1H3;/q-2;+2
InChIKeyXFFWCSKUIRKASG-UHFFFAOYSA-N
XLogP6.64
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.59
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[difluoro-[4-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-phenylpyrimidine;platinum(2+)?
The IUPAC name of 4-[difluoro-[4-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-phenylpyrimidine;platinum(2+) (CID 58444760) is 4-[difluoro-[4-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-phenylpyrimidine;platinum(2+).
What is the SMILES notation for 4-[difluoro-[4-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-phenylpyrimidine;platinum(2+)?
The canonical SMILES for 4-[difluoro-[4-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-phenylpyrimidine;platinum(2+) is Cc1c[c-]n(-c2nc(-c3ccccc3)cc(C(F)(F)c3cc(-c4ccccc4)cc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[Pt+2].
What is the InChIKey of 4-[difluoro-[4-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-phenylpyrimidine;platinum(2+)?
The InChIKey is XFFWCSKUIRKASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F5N7.Pt/c1-19-12-14-42(39-19)28-36-23(21-10-6-3-7-11-21)18-26(38-28)29(31,32)25-16-22(20-8-4-2-5-9-20)17-27(37-25)41-15-13-24(40-41)30(33,34)35;/h2-13,16-18H,1H3;/q-2;+2.
What are the key properties of 4-[difluoro-[4-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-phenylpyrimidine;platinum(2+)?
4-[difluoro-[4-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-phenylpyrimidine;platinum(2+) has a molecular weight of 766.59 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro-[4-phenyl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]methyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-phenylpyrimidine;platinum(2+) is sourced from PubChem (CID 58444760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).