2-[1-[[3-(2-hydroxyphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]methyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]phenol;platinum(2+)

C25H20N6O2Pt — CID 176843441

About 2-[1-[[3-(2-hydroxyphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]methyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]phenol;platinum(2+)

2-[1-[[3-(2-hydroxyphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]methyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]phenol;platinum(2+) (PubChem CID 176843441) has the molecular formula C25H20N6O2Pt and a molecular weight of 631.55 g/mol. Its IUPAC name is 2-[1-[[3-(2-hydroxyphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]methyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]phenol;platinum(2+).

Molecular Properties

• Compound Name: 2-[1-[[3-(2-hydroxyphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]methyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]phenol;platinum(2+)
• PubChem CID: 176843441
• Molecular Formula: C25H20N6O2Pt
• Molecular Weight: 631.55 g/mol
• Exact Mass: 631.13
• IUPAC Name: 2-[1-[[3-(2-hydroxyphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]methyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]phenol;platinum(2+)
• SMILES: Oc1ccccc1N1[CH-]N(CN2[CH-]N(c3ccccc3O)c3ncccc32)c2cccnc21.[Pt+2]
• InChI: InChI=1S/C25H20N6O2.Pt/c32-22-11-3-1-7-18(22)30-16-28(20-9-5-13-26-24(20)30)15-29-17-31(19-8-2-4-12-23(19)33)25-21(29)10-6-14-27-25;/h1-14,16-17,32-33H,15H2;/q-2;+2
• InChIKey: JVYIBMLVFNSXBP-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 79.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	631.55
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(2-hydroxyphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]methyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]phenol;platinum(2+)?

The IUPAC name of 2-[1-[[3-(2-hydroxyphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]methyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]phenol;platinum(2+) (CID 176843441) is 2-[1-[[3-(2-hydroxyphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]methyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]phenol;platinum(2+).

What is the SMILES notation for 2-[1-[[3-(2-hydroxyphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]methyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]phenol;platinum(2+)?

The canonical SMILES for 2-[1-[[3-(2-hydroxyphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]methyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]phenol;platinum(2+) is Oc1ccccc1N1[CH-]N(CN2[CH-]N(c3ccccc3O)c3ncccc32)c2cccnc21.[Pt+2].

What is the InChIKey of 2-[1-[[3-(2-hydroxyphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]methyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]phenol;platinum(2+)?

The InChIKey is JVYIBMLVFNSXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2.Pt/c32-22-11-3-1-7-18(22)30-16-28(20-9-5-13-26-24(20)30)15-29-17-31(19-8-2-4-12-23(19)33)25-21(29)10-6-14-27-25;/h1-14,16-17,32-33H,15H2;/q-2;+2.

What are the key properties of 2-[1-[[3-(2-hydroxyphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]methyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]phenol;platinum(2+)?

2-[1-[[3-(2-hydroxyphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]methyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]phenol;platinum(2+) has a molecular weight of 631.55 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[[3-(2-hydroxyphenyl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]methyl]-2H-imidazo[4,5-b]pyridin-2-id-3-yl]phenol;platinum(2+) is sourced from PubChem (CID 176843441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).