1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)

C23H20N6OPt — CID 58709106

IUPAC1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)
SMILESCn1cc(-c2ncc[n-]2)nc1C(C)(C)c1[c-]c(Oc2ncn3ccccc23)ccc1.[Pt+2]
InChIInChI=1S/C23H20N6O.Pt/c1-23(2,22-27-18(14-28(22)3)20-24-10-11-25-20)16-7-6-8-17(13-16)30-21-19-9-4-5-12-29(19)15-26-21;/h4-12,14-15H,1-3H3;/q-2;+2
InChIKeyPQPCRCBSKBDFDA-UHFFFAOYSA-N
MW591.53 g/mol
LogP4.00
Rot. Bonds5

About 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)

1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+) (PubChem CID 58709106) has the molecular formula C23H20N6OPt and a molecular weight of 591.53 g/mol. Its IUPAC name is 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+).

Molecular Properties

Compound Name1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)
PubChem CID58709106
Molecular FormulaC23H20N6OPt
Molecular Weight591.53 g/mol
Exact Mass591.13
IUPAC Name1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)
SMILESCn1cc(-c2ncc[n-]2)nc1C(C)(C)c1[c-]c(Oc2ncn3ccccc23)ccc1.[Pt+2]
InChIInChI=1S/C23H20N6O.Pt/c1-23(2,22-27-18(14-28(22)3)20-24-10-11-25-20)16-7-6-8-17(13-16)30-21-19-9-4-5-12-29(19)15-26-21;/h4-12,14-15H,1-3H3;/q-2;+2
InChIKeyPQPCRCBSKBDFDA-UHFFFAOYSA-N
XLogP4.00
TPSA71.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)?
The IUPAC name of 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+) (CID 58709106) is 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+).
What is the SMILES notation for 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)?
The canonical SMILES for 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+) is Cn1cc(-c2ncc[n-]2)nc1C(C)(C)c1[c-]c(Oc2ncn3ccccc23)ccc1.[Pt+2].
What is the InChIKey of 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)?
The InChIKey is PQPCRCBSKBDFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O.Pt/c1-23(2,22-27-18(14-28(22)3)20-24-10-11-25-20)16-7-6-8-17(13-16)30-21-19-9-4-5-12-29(19)15-26-21;/h4-12,14-15H,1-3H3;/q-2;+2.
What are the key properties of 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)?
1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+) has a molecular weight of 591.53 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+) is sourced from PubChem (CID 58709106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).