5-(4-methyl-2-pyridinyl)-3-[5-[(4-methyl-2-pyridinyl)oxy]-4H-pyridin-4-id-3-yl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+)

C₂₈H₁₉N₅OPt — CID 153421204

About 5-(4-methyl-2-pyridinyl)-3-[5-[(4-methyl-2-pyridinyl)oxy]-4H-pyridin-4-id-3-yl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+)

5-(4-methyl-2-pyridinyl)-3-[5-[(4-methyl-2-pyridinyl)oxy]-4H-pyridin-4-id-3-yl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+) (PubChem CID 153421204) has the molecular formula C₂₈H₁₉N₅OPt and a molecular weight of 636.57 g/mol. Its IUPAC name is 5-(4-methyl-2-pyridinyl)-3-[5-[(4-methyl-2-pyridinyl)oxy]-4H-pyridin-4-id-3-yl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+).

Molecular Properties

• Compound Name: 5-(4-methyl-2-pyridinyl)-3-[5-[(4-methyl-2-pyridinyl)oxy]-4H-pyridin-4-id-3-yl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+)
• PubChem CID: 153421204
• Molecular Formula: C₂₈H₁₉N₅OPt
• Molecular Weight: 636.57 g/mol
• Exact Mass: 636.12
• IUPAC Name: 5-(4-methyl-2-pyridinyl)-3-[5-[(4-methyl-2-pyridinyl)oxy]-4H-pyridin-4-id-3-yl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+)
• SMILES: Cc1ccnc(Oc2[c-]c(-c3[c-]c4c(nc3)c3ccccc3n4-c3cc(C)ccn3)cnc2)c1.[Pt+2]
• InChI: InChI=1S/C28H19N5O.Pt/c1-18-7-9-30-26(11-18)33-24-6-4-3-5-23(24)28-25(33)14-21(16-32-28)20-13-22(17-29-15-20)34-27-12-19(2)8-10-31-27;/h3-12,15-17H,1-2H3;/q-2;+2
• InChIKey: ZWTBVMAYPFQENF-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 65.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.57
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-pyridinyl)-3-[5-[(4-methyl-2-pyridinyl)oxy]-4H-pyridin-4-id-3-yl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+)?

The IUPAC name of 5-(4-methyl-2-pyridinyl)-3-[5-[(4-methyl-2-pyridinyl)oxy]-4H-pyridin-4-id-3-yl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+) (CID 153421204) is 5-(4-methyl-2-pyridinyl)-3-[5-[(4-methyl-2-pyridinyl)oxy]-4H-pyridin-4-id-3-yl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+).

What is the SMILES notation for 5-(4-methyl-2-pyridinyl)-3-[5-[(4-methyl-2-pyridinyl)oxy]-4H-pyridin-4-id-3-yl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+)?

The canonical SMILES for 5-(4-methyl-2-pyridinyl)-3-[5-[(4-methyl-2-pyridinyl)oxy]-4H-pyridin-4-id-3-yl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+) is Cc1ccnc(Oc2[c-]c(-c3[c-]c4c(nc3)c3ccccc3n4-c3cc(C)ccn3)cnc2)c1.[Pt+2].

What is the InChIKey of 5-(4-methyl-2-pyridinyl)-3-[5-[(4-methyl-2-pyridinyl)oxy]-4H-pyridin-4-id-3-yl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+)?

The InChIKey is ZWTBVMAYPFQENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5O.Pt/c1-18-7-9-30-26(11-18)33-24-6-4-3-5-23(24)28-25(33)14-21(16-32-28)20-13-22(17-29-15-20)34-27-12-19(2)8-10-31-27;/h3-12,15-17H,1-2H3;/q-2;+2.

What are the key properties of 5-(4-methyl-2-pyridinyl)-3-[5-[(4-methyl-2-pyridinyl)oxy]-4H-pyridin-4-id-3-yl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+)?

5-(4-methyl-2-pyridinyl)-3-[5-[(4-methyl-2-pyridinyl)oxy]-4H-pyridin-4-id-3-yl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+) has a molecular weight of 636.57 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methyl-2-pyridinyl)-3-[5-[(4-methyl-2-pyridinyl)oxy]-4H-pyridin-4-id-3-yl]-4H-pyrido[3,2-b]indol-4-ide;platinum(2+) is sourced from PubChem (CID 153421204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153421204 — identifiers, structure, computed properties (public domain)

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