3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+)

C35H40F4N6Pt — CID 140585331

IUPAC3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+)
SMILESCn1c(C(C)(C)c2nc(-c3[c-]cc(F)nc3F)c(CC3(C)CCCC3)n2C)nc(-c2[c-]cc(F)nc2F)c1CC1(C)CCCC1.[Pt+2]
InChIInChI=1S/C35H40F4N6.Pt/c1-33(2,31-42-27(21-11-13-25(36)40-29(21)38)23(44(31)5)19-34(3)15-7-8-16-34)32-43-28(22-12-14-26(37)41-30(22)39)24(45(32)6)20-35(4)17-9-10-18-35;/h13-14H,7-10,15-20H2,1-6H3;/q-2;+2
InChIKeyGHLPSADFCSVHJS-UHFFFAOYSA-N
MW815.82 g/mol
LogP8.00
Rot. Bonds8

About 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+)

3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+) (PubChem CID 140585331) has the molecular formula C35H40F4N6Pt and a molecular weight of 815.82 g/mol. Its IUPAC name is 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+).

Molecular Properties

Compound Name3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+)
PubChem CID140585331
Molecular FormulaC35H40F4N6Pt
Molecular Weight815.82 g/mol
Exact Mass815.29
IUPAC Name3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+)
SMILESCn1c(C(C)(C)c2nc(-c3[c-]cc(F)nc3F)c(CC3(C)CCCC3)n2C)nc(-c2[c-]cc(F)nc2F)c1CC1(C)CCCC1.[Pt+2]
InChIInChI=1S/C35H40F4N6.Pt/c1-33(2,31-42-27(21-11-13-25(36)40-29(21)38)23(44(31)5)19-34(3)15-7-8-16-34)32-43-28(22-12-14-26(37)41-30(22)39)24(45(32)6)20-35(4)17-9-10-18-35;/h13-14H,7-10,15-20H2,1-6H3;/q-2;+2
InChIKeyGHLPSADFCSVHJS-UHFFFAOYSA-N
XLogP8.00
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.82
LogP ≤ 58.00
H-Bond Donors ≤ 50
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'}

Analyze 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+)?
The IUPAC name of 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+) (CID 140585331) is 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+).
What is the SMILES notation for 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+)?
The canonical SMILES for 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+) is Cn1c(C(C)(C)c2nc(-c3[c-]cc(F)nc3F)c(CC3(C)CCCC3)n2C)nc(-c2[c-]cc(F)nc2F)c1CC1(C)CCCC1.[Pt+2].
What is the InChIKey of 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+)?
The InChIKey is GHLPSADFCSVHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40F4N6.Pt/c1-33(2,31-42-27(21-11-13-25(36)40-29(21)38)23(44(31)5)19-34(3)15-7-8-16-34)32-43-28(22-12-14-26(37)41-30(22)39)24(45(32)6)20-35(4)17-9-10-18-35;/h13-14H,7-10,15-20H2,1-6H3;/q-2;+2.
What are the key properties of 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+)?
3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+) has a molecular weight of 815.82 g/mol, XLogP of 8.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[4-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-2-yl]propan-2-yl]-1-methyl-5-[(1-methylcyclopentyl)methyl]imidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;platinum(2+) is sourced from PubChem (CID 140585331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).