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

C26H30N6O — CID 157450285

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

(2-amino-5-pyridin-4-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 157450285) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is (2-amino-5-pyridin-4-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (2-amino-5-pyridin-4-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
• PubChem CID: 157450285
• Molecular Formula: C26H30N6O
• Molecular Weight: 442.57 g/mol
• Exact Mass: 442.25
• IUPAC Name: (2-amino-5-pyridin-4-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
• SMILES: Nc1ncc(-c2ccncc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H24N6O.3H2/c27-26-21(15-20(16-30-26)18-9-11-28-12-10-18)25(33)22-7-4-8-24(31-22)32-14-13-29-23(17-32)19-5-2-1-3-6-19;;;/h1-12,15-16,23,29H,13-14,17H2,(H2,27,30);3*1H
• InChIKey: BSSIGGSSNDAFQF-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 97.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.57
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2-amino-5-pyridin-4-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen (CID 157450285) is (2-amino-5-pyridin-4-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen.

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

The canonical SMILES for (2-amino-5-pyridin-4-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen is Nc1ncc(-c2ccncc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.[H][H].[H][H].[H][H].

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

The InChIKey is BSSIGGSSNDAFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O.3H2/c27-26-21(15-20(16-30-26)18-9-11-28-12-10-18)25(33)22-7-4-8-24(31-22)32-14-13-29-23(17-32)19-5-2-1-3-6-19;;;/h1-12,15-16,23,29H,13-14,17H2,(H2,27,30);3*1H.

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

(2-amino-5-pyridin-4-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 442.57 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-5-pyridin-4-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 157450285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).