[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen

C27H33N5O2 — CID 161243728

About [2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen

[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 161243728) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is [2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: [2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
• PubChem CID: 161243728
• Molecular Formula: C27H33N5O2
• Molecular Weight: 459.59 g/mol
• Exact Mass: 459.26
• IUPAC Name: [2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
• SMILES: Nc1ncc(-c2ccc(O)cc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C27H25N5O2.4H2/c28-27-22(15-20(16-30-27)18-9-11-21(33)12-10-18)26(34)23-7-4-8-25(31-23)32-14-13-29-24(17-32)19-5-2-1-3-6-19;;;;/h1-12,15-16,24,29,33H,13-14,17H2,(H2,28,30);4*1H
• InChIKey: VAIUIXYULWPSTG-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 104.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.59
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?

The IUPAC name of [2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen (CID 161243728) is [2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen.

What is the SMILES notation for [2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?

The canonical SMILES for [2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen is Nc1ncc(-c2ccc(O)cc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of [2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?

The InChIKey is VAIUIXYULWPSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2.4H2/c28-27-22(15-20(16-30-27)18-9-11-21(33)12-10-18)26(34)23-7-4-8-25(31-23)32-14-13-29-24(17-32)19-5-2-1-3-6-19;;;;/h1-12,15-16,24,29,33H,13-14,17H2,(H2,28,30);4*1H.

What are the key properties of [2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?

[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 459.59 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 161243728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).