N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide

C22H27N9O — CID 59023029

About N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide

N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide (PubChem CID 59023029) has the molecular formula C22H27N9O and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
• PubChem CID: 59023029
• Molecular Formula: C22H27N9O
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.23
• IUPAC Name: N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
• SMILES: CCN(CC)CCNC(=O)c1ccc(Nc2ncc(-c3n[nH]c(C)n3)n3ccnc23)cc1
• InChI: InChI=1S/C22H27N9O/c1-4-30(5-2)12-10-24-22(32)16-6-8-17(9-7-16)27-20-21-23-11-13-31(21)18(14-25-20)19-26-15(3)28-29-19/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,24,32)(H,25,27)(H,26,28,29)
• InChIKey: XYZMSJVLHPNEQA-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 116.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide (CID 59023029) is N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide is CCN(CC)CCNC(=O)c1ccc(Nc2ncc(-c3n[nH]c(C)n3)n3ccnc23)cc1.

What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?

The InChIKey is XYZMSJVLHPNEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N9O/c1-4-30(5-2)12-10-24-22(32)16-6-8-17(9-7-16)27-20-21-23-11-13-31(21)18(14-25-20)19-26-15(3)28-29-19/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,24,32)(H,25,27)(H,26,28,29).

What are the key properties of N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?

N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide has a molecular weight of 433.52 g/mol, XLogP of 2.64, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide is sourced from PubChem (CID 59023029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).