(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide

C22H24N4O3 — CID 51496539

About (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide

(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide (PubChem CID 51496539) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
• PubChem CID: 51496539
• Molecular Formula: C22H24N4O3
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.18
• IUPAC Name: (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
• SMILES: Cc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)Nc3ccc4c(c3)CCC4)n2)c(C)o1
• InChI: InChI=1S/C22H24N4O3/c1-12-9-18(14(3)29-12)20-11-19(23)22(28)26(25-20)13(2)21(27)24-17-8-7-15-5-4-6-16(15)10-17/h7-11,13H,4-6,23H2,1-3H3,(H,24,27)/t13-/m1/s1
• InChIKey: ASCSSLRHSKFZQI-CYBMUJFWSA-N
• XLogP: 3.39
• TPSA: 103.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?

The IUPAC name of (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide (CID 51496539) is (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide.

What is the SMILES notation for (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?

The canonical SMILES for (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide is Cc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)Nc3ccc4c(c3)CCC4)n2)c(C)o1.

What is the InChIKey of (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?

The InChIKey is ASCSSLRHSKFZQI-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-12-9-18(14(3)29-12)20-11-19(23)22(28)26(25-20)13(2)21(27)24-17-8-7-15-5-4-6-16(15)10-17/h7-11,13H,4-6,23H2,1-3H3,(H,24,27)/t13-/m1/s1.

What are the key properties of (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?

(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide has a molecular weight of 392.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide is sourced from PubChem (CID 51496539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).