4-(1-aminopropan-2-yl)benzonitrile;2-(5-fluoro-3-pyridinyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide

C26H26FN7O — CID 155597367

About 4-(1-aminopropan-2-yl)benzonitrile;2-(5-fluoro-3-pyridinyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide

4-(1-aminopropan-2-yl)benzonitrile;2-(5-fluoro-3-pyridinyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 155597367) has the molecular formula C26H26FN7O and a molecular weight of 471.54 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)benzonitrile;2-(5-fluoro-3-pyridinyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 4-(1-aminopropan-2-yl)benzonitrile;2-(5-fluoro-3-pyridinyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
• PubChem CID: 155597367
• Molecular Formula: C26H26FN7O
• Molecular Weight: 471.54 g/mol
• Exact Mass: 471.22
• IUPAC Name: 4-(1-aminopropan-2-yl)benzonitrile;2-(5-fluoro-3-pyridinyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
• SMILES: CC(CN)c1ccc(C#N)cc1.Cn1cc(-c2ccc(NC(=O)Cc3cncc(F)c3)nc2)cn1
• InChI: InChI=1S/C16H14FN5O.C10H12N2/c1-22-10-13(8-20-22)12-2-3-15(19-7-12)21-16(23)5-11-4-14(17)9-18-6-11;1-8(6-11)10-4-2-9(7-12)3-5-10/h2-4,6-10H,5H2,1H3,(H,19,21,23);2-5,8H,6,11H2,1H3
• InChIKey: BQCLBNACHXXAHC-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 122.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.54
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)benzonitrile;2-(5-fluoro-3-pyridinyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?

The IUPAC name of 4-(1-aminopropan-2-yl)benzonitrile;2-(5-fluoro-3-pyridinyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide (CID 155597367) is 4-(1-aminopropan-2-yl)benzonitrile;2-(5-fluoro-3-pyridinyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for 4-(1-aminopropan-2-yl)benzonitrile;2-(5-fluoro-3-pyridinyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?

The canonical SMILES for 4-(1-aminopropan-2-yl)benzonitrile;2-(5-fluoro-3-pyridinyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide is CC(CN)c1ccc(C#N)cc1.Cn1cc(-c2ccc(NC(=O)Cc3cncc(F)c3)nc2)cn1.

What is the InChIKey of 4-(1-aminopropan-2-yl)benzonitrile;2-(5-fluoro-3-pyridinyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?

The InChIKey is BQCLBNACHXXAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O.C10H12N2/c1-22-10-13(8-20-22)12-2-3-15(19-7-12)21-16(23)5-11-4-14(17)9-18-6-11;1-8(6-11)10-4-2-9(7-12)3-5-10/h2-4,6-10H,5H2,1H3,(H,19,21,23);2-5,8H,6,11H2,1H3.

What are the key properties of 4-(1-aminopropan-2-yl)benzonitrile;2-(5-fluoro-3-pyridinyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?

4-(1-aminopropan-2-yl)benzonitrile;2-(5-fluoro-3-pyridinyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide has a molecular weight of 471.54 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-aminopropan-2-yl)benzonitrile;2-(5-fluoro-3-pyridinyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 155597367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).