N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide

C26H25N5O2 — CID 161137170

About N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide

N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide (PubChem CID 161137170) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide
• PubChem CID: 161137170
• Molecular Formula: C26H25N5O2
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.20
• IUPAC Name: N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide
• SMILES: Cn1nccc1CC(=O)Nc1cc(-c2[nH]c3c(c2Cc2ccccc2)C(=O)CCC3)ccn1
• InChI: InChI=1S/C26H25N5O2/c1-31-19(11-13-28-31)16-24(33)30-23-15-18(10-12-27-23)26-20(14-17-6-3-2-4-7-17)25-21(29-26)8-5-9-22(25)32/h2-4,6-7,10-13,15,29H,5,8-9,14,16H2,1H3,(H,27,30,33)
• InChIKey: UMYIVNBSLRGHEV-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide?

The IUPAC name of N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide (CID 161137170) is N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide.

What is the SMILES notation for N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide?

The canonical SMILES for N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide is Cn1nccc1CC(=O)Nc1cc(-c2[nH]c3c(c2Cc2ccccc2)C(=O)CCC3)ccn1.

What is the InChIKey of N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide?

The InChIKey is UMYIVNBSLRGHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-31-19(11-13-28-31)16-24(33)30-23-15-18(10-12-27-23)26-20(14-17-6-3-2-4-7-17)25-21(29-26)8-5-9-22(25)32/h2-4,6-7,10-13,15,29H,5,8-9,14,16H2,1H3,(H,27,30,33).

What are the key properties of N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide?

N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide has a molecular weight of 439.52 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 161137170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).