2-[4-(aminomethyl)piperidin-1-yl]-N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide

C26H30N6O2 — CID 5329619

About 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide

2-[4-(aminomethyl)piperidin-1-yl]-N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (PubChem CID 5329619) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
• PubChem CID: 5329619
• Molecular Formula: C26H30N6O2
• Molecular Weight: 458.57 g/mol
• Exact Mass: 458.24
• IUPAC Name: 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
• SMILES: CN(C)c1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)CN4CCC(CN)CC4)cccc2-3)cc1
• InChI: InChI=1S/C26H30N6O2/c1-31(2)18-8-6-17(7-9-18)24-23-25(30-29-24)19-4-3-5-20(22(19)26(23)34)28-21(33)15-32-12-10-16(14-27)11-13-32/h3-9,16H,10-15,27H2,1-2H3,(H,28,33)(H,29,30)
• InChIKey: XNKRVQHYKHYXCS-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 107.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.57
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?

The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (CID 5329619) is 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.

What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?

The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is CN(C)c1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)CN4CCC(CN)CC4)cccc2-3)cc1.

What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?

The InChIKey is XNKRVQHYKHYXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-31(2)18-8-6-17(7-9-18)24-23-25(30-29-24)19-4-3-5-20(22(19)26(23)34)28-21(33)15-32-12-10-16(14-27)11-13-32/h3-9,16H,10-15,27H2,1-2H3,(H,28,33)(H,29,30).

What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?

2-[4-(aminomethyl)piperidin-1-yl]-N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide has a molecular weight of 458.57 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is sourced from PubChem (CID 5329619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).