2-[4-[difluoro-[6-[4-isocyano-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-4-(N-phenylanilino)-2-pyridinyl]methyl]pyrimidin-2-yl]-5-methyl-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)

C32H17F5N10Pt — CID 58444861

About 2-[4-[difluoro-[6-[4-isocyano-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-4-(N-phenylanilino)-2-pyridinyl]methyl]pyrimidin-2-yl]-5-methyl-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)

2-[4-[difluoro-[6-[4-isocyano-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-4-(N-phenylanilino)-2-pyridinyl]methyl]pyrimidin-2-yl]-5-methyl-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+) (PubChem CID 58444861) has the molecular formula C32H17F5N10Pt and a molecular weight of 831.63 g/mol. Its IUPAC name is 2-[4-[difluoro-[6-[4-isocyano-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-4-(N-phenylanilino)-2-pyridinyl]methyl]pyrimidin-2-yl]-5-methyl-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+).

Molecular Properties

• Compound Name: 2-[4-[difluoro-[6-[4-isocyano-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-4-(N-phenylanilino)-2-pyridinyl]methyl]pyrimidin-2-yl]-5-methyl-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)
• PubChem CID: 58444861
• Molecular Formula: C32H17F5N10Pt
• Molecular Weight: 831.63 g/mol
• Exact Mass: 831.12
• IUPAC Name: 2-[4-[difluoro-[6-[4-isocyano-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-4-(N-phenylanilino)-2-pyridinyl]methyl]pyrimidin-2-yl]-5-methyl-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)
• SMILES: [C-]#[N+]c1[c-]n(-c2cc(N(c3ccccc3)c3ccccc3)cc(C(F)(F)c3ccnc(-n4[c-]c(C#N)c(C)n4)n3)n2)nc1C(F)(F)F.[Pt+2]
• InChI: InChI=1S/C32H17F5N10.Pt/c1-20-21(17-38)18-46(43-20)30-40-14-13-26(42-30)31(33,34)27-15-24(47(22-9-5-3-6-10-22)23-11-7-4-8-12-23)16-28(41-27)45-19-25(39-2)29(44-45)32(35,36)37;/h3-16H,1H3;/q-2;+2
• InChIKey: YHBPXUQQIMRAHX-UHFFFAOYSA-N
• XLogP: 7.20
• TPSA: 105.70 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.63
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[difluoro-[6-[4-isocyano-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-4-(N-phenylanilino)-2-pyridinyl]methyl]pyrimidin-2-yl]-5-methyl-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)?

The IUPAC name of 2-[4-[difluoro-[6-[4-isocyano-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-4-(N-phenylanilino)-2-pyridinyl]methyl]pyrimidin-2-yl]-5-methyl-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+) (CID 58444861) is 2-[4-[difluoro-[6-[4-isocyano-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-4-(N-phenylanilino)-2-pyridinyl]methyl]pyrimidin-2-yl]-5-methyl-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+).

What is the SMILES notation for 2-[4-[difluoro-[6-[4-isocyano-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-4-(N-phenylanilino)-2-pyridinyl]methyl]pyrimidin-2-yl]-5-methyl-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)?

The canonical SMILES for 2-[4-[difluoro-[6-[4-isocyano-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-4-(N-phenylanilino)-2-pyridinyl]methyl]pyrimidin-2-yl]-5-methyl-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+) is [C-]#[N+]c1[c-]n(-c2cc(N(c3ccccc3)c3ccccc3)cc(C(F)(F)c3ccnc(-n4[c-]c(C#N)c(C)n4)n3)n2)nc1C(F)(F)F.[Pt+2].

What is the InChIKey of 2-[4-[difluoro-[6-[4-isocyano-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-4-(N-phenylanilino)-2-pyridinyl]methyl]pyrimidin-2-yl]-5-methyl-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)?

The InChIKey is YHBPXUQQIMRAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17F5N10.Pt/c1-20-21(17-38)18-46(43-20)30-40-14-13-26(42-30)31(33,34)27-15-24(47(22-9-5-3-6-10-22)23-11-7-4-8-12-23)16-28(41-27)45-19-25(39-2)29(44-45)32(35,36)37;/h3-16H,1H3;/q-2;+2.

What are the key properties of 2-[4-[difluoro-[6-[4-isocyano-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-4-(N-phenylanilino)-2-pyridinyl]methyl]pyrimidin-2-yl]-5-methyl-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)?

2-[4-[difluoro-[6-[4-isocyano-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-4-(N-phenylanilino)-2-pyridinyl]methyl]pyrimidin-2-yl]-5-methyl-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+) has a molecular weight of 831.63 g/mol, XLogP of 7.20, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[difluoro-[6-[4-isocyano-5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]-4-(N-phenylanilino)-2-pyridinyl]methyl]pyrimidin-2-yl]-5-methyl-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+) is sourced from PubChem (CID 58444861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).