[5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen

C28H28N4O2 — CID 162085069

About [5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen

[5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 162085069) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is [5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: [5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
• PubChem CID: 162085069
• Molecular Formula: C28H28N4O2
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.22
• IUPAC Name: [5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
• SMILES: Cc1ncc(-c2ccccc2O)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.[H][H]
• InChI: InChI=1S/C28H26N4O2.H2/c1-19-23(16-21(17-30-19)22-10-5-6-12-26(22)33)28(34)24-11-7-13-27(31-24)32-15-14-29-25(18-32)20-8-3-2-4-9-20;/h2-13,16-17,25,29,33H,14-15,18H2,1H3;1H
• InChIKey: ZCVWPGSZWCFHSY-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 78.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?

The IUPAC name of [5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen (CID 162085069) is [5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen.

What is the SMILES notation for [5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?

The canonical SMILES for [5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen is Cc1ncc(-c2ccccc2O)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.[H][H].

What is the InChIKey of [5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?

The InChIKey is ZCVWPGSZWCFHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2.H2/c1-19-23(16-21(17-30-19)22-10-5-6-12-26(22)33)28(34)24-11-7-13-27(31-24)32-15-14-29-25(18-32)20-8-3-2-4-9-20;/h2-13,16-17,25,29,33H,14-15,18H2,1H3;1H.

What are the key properties of [5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?

[5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 452.56 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 162085069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).