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

C26H28N4OS — CID 161332015

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

(2-methyl-5-thiophen-2-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 161332015) has the molecular formula C26H28N4OS and a molecular weight of 444.60 g/mol. Its IUPAC name is (2-methyl-5-thiophen-2-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (2-methyl-5-thiophen-2-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
• PubChem CID: 161332015
• Molecular Formula: C26H28N4OS
• Molecular Weight: 444.60 g/mol
• Exact Mass: 444.20
• IUPAC Name: (2-methyl-5-thiophen-2-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
• SMILES: Cc1ncc(-c2cccs2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.[H][H].[H][H]
• InChI: InChI=1S/C26H24N4OS.2H2/c1-18-21(15-20(16-28-18)24-10-6-14-32-24)26(31)22-9-5-11-25(29-22)30-13-12-27-23(17-30)19-7-3-2-4-8-19;;/h2-11,14-16,23,27H,12-13,17H2,1H3;2*1H
• InChIKey: VLNSSWYRGBWSDW-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.60
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2-methyl-5-thiophen-2-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen (CID 161332015) is (2-methyl-5-thiophen-2-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen.

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

The canonical SMILES for (2-methyl-5-thiophen-2-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen is Cc1ncc(-c2cccs2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.[H][H].[H][H].

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

The InChIKey is VLNSSWYRGBWSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4OS.2H2/c1-18-21(15-20(16-28-18)24-10-6-14-32-24)26(31)22-9-5-11-25(29-22)30-13-12-27-23(17-30)19-7-3-2-4-8-19;;/h2-11,14-16,23,27H,12-13,17H2,1H3;2*1H.

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

(2-methyl-5-thiophen-2-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 444.60 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-5-thiophen-2-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 161332015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).