4-[5-(2-amino-2-methylpropyl)-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile

C25H24N6O — CID 167429982

About 4-[5-(2-amino-2-methylpropyl)-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile

4-[5-(2-amino-2-methylpropyl)-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile (PubChem CID 167429982) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 4-[5-(2-amino-2-methylpropyl)-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile.

Molecular Properties

• Compound Name: 4-[5-(2-amino-2-methylpropyl)-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile
• PubChem CID: 167429982
• Molecular Formula: C25H24N6O
• Molecular Weight: 424.51 g/mol
• Exact Mass: 424.20
• IUPAC Name: 4-[5-(2-amino-2-methylpropyl)-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile
• SMILES: Cn1nc(-c2ccccn2)cc1Oc1cc(C#N)ccc1-c1ccc(CC(C)(C)N)cn1
• InChI: InChI=1S/C25H24N6O/c1-25(2,27)14-18-8-10-20(29-16-18)19-9-7-17(15-26)12-23(19)32-24-13-22(30-31(24)3)21-6-4-5-11-28-21/h4-13,16H,14,27H2,1-3H3
• InChIKey: QOWZFKGPSINPRC-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 102.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.51
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-amino-2-methylpropyl)-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile?

The IUPAC name of 4-[5-(2-amino-2-methylpropyl)-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile (CID 167429982) is 4-[5-(2-amino-2-methylpropyl)-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile.

What is the SMILES notation for 4-[5-(2-amino-2-methylpropyl)-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile?

The canonical SMILES for 4-[5-(2-amino-2-methylpropyl)-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile is Cn1nc(-c2ccccn2)cc1Oc1cc(C#N)ccc1-c1ccc(CC(C)(C)N)cn1.

What is the InChIKey of 4-[5-(2-amino-2-methylpropyl)-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile?

The InChIKey is QOWZFKGPSINPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-25(2,27)14-18-8-10-20(29-16-18)19-9-7-17(15-26)12-23(19)32-24-13-22(30-31(24)3)21-6-4-5-11-28-21/h4-13,16H,14,27H2,1-3H3.

What are the key properties of 4-[5-(2-amino-2-methylpropyl)-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile?

4-[5-(2-amino-2-methylpropyl)-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile has a molecular weight of 424.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(2-amino-2-methylpropyl)-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile is sourced from PubChem (CID 167429982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).