4-[2-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]propan-2-yl]-1-methylimidazole-2-carboxylic acid;platinum

C17H16F2N5O2Pt- — CID 59399477

IUPAC4-[2-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]propan-2-yl]-1-methylimidazole-2-carboxylic acid;platinum
SMILESCn1cc(C(C)(C)c2cn(C)c(-c3[c-]cc(F)nc3F)n2)nc1C(=O)O.[Pt]
InChIInChI=1S/C17H16F2N5O2.Pt/c1-17(2,11-8-24(4)15(21-11)16(25)26)10-7-23(3)14(20-10)9-5-6-12(18)22-13(9)19;/h6-8H,1-4H3,(H,25,26);/q-1;
InChIKeyGPAFVAADEIUXDK-UHFFFAOYSA-N
MW555.42 g/mol
LogP2.32
Rot. Bonds4

About 4-[2-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]propan-2-yl]-1-methylimidazole-2-carboxylic acid;platinum

4-[2-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]propan-2-yl]-1-methylimidazole-2-carboxylic acid;platinum (PubChem CID 59399477) has the molecular formula C17H16F2N5O2Pt- and a molecular weight of 555.42 g/mol. Its IUPAC name is 4-[2-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]propan-2-yl]-1-methylimidazole-2-carboxylic acid;platinum.

Molecular Properties

Compound Name4-[2-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]propan-2-yl]-1-methylimidazole-2-carboxylic acid;platinum
PubChem CID59399477
Molecular FormulaC17H16F2N5O2Pt-
Molecular Weight555.42 g/mol
Exact Mass555.09
IUPAC Name4-[2-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]propan-2-yl]-1-methylimidazole-2-carboxylic acid;platinum
SMILESCn1cc(C(C)(C)c2cn(C)c(-c3[c-]cc(F)nc3F)n2)nc1C(=O)O.[Pt]
InChIInChI=1S/C17H16F2N5O2.Pt/c1-17(2,11-8-24(4)15(21-11)16(25)26)10-7-23(3)14(20-10)9-5-6-12(18)22-13(9)19;/h6-8H,1-4H3,(H,25,26);/q-1;
InChIKeyGPAFVAADEIUXDK-UHFFFAOYSA-N
XLogP2.32
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+)
CID 58162154
2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-2-yl]propan-2-yl]-1-methylimidazole-4-carboxylic acid;platinum
CID 59399466

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]propan-2-yl]-1-methylimidazole-2-carboxylic acid;platinum?
The IUPAC name of 4-[2-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]propan-2-yl]-1-methylimidazole-2-carboxylic acid;platinum (CID 59399477) is 4-[2-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]propan-2-yl]-1-methylimidazole-2-carboxylic acid;platinum.
What is the SMILES notation for 4-[2-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]propan-2-yl]-1-methylimidazole-2-carboxylic acid;platinum?
The canonical SMILES for 4-[2-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]propan-2-yl]-1-methylimidazole-2-carboxylic acid;platinum is Cn1cc(C(C)(C)c2cn(C)c(-c3[c-]cc(F)nc3F)n2)nc1C(=O)O.[Pt].
What is the InChIKey of 4-[2-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]propan-2-yl]-1-methylimidazole-2-carboxylic acid;platinum?
The InChIKey is GPAFVAADEIUXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N5O2.Pt/c1-17(2,11-8-24(4)15(21-11)16(25)26)10-7-23(3)14(20-10)9-5-6-12(18)22-13(9)19;/h6-8H,1-4H3,(H,25,26);/q-1;.
What are the key properties of 4-[2-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]propan-2-yl]-1-methylimidazole-2-carboxylic acid;platinum?
4-[2-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]propan-2-yl]-1-methylimidazole-2-carboxylic acid;platinum has a molecular weight of 555.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]propan-2-yl]-1-methylimidazole-2-carboxylic acid;platinum is sourced from PubChem (CID 59399477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).