N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene

C26H28FN7O3 — CID 144738717

About N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene

N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene (PubChem CID 144738717) has the molecular formula C26H28FN7O3 and a molecular weight of 505.55 g/mol. Its IUPAC name is N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene.

Molecular Properties

• Compound Name: N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene
• PubChem CID: 144738717
• Molecular Formula: C26H28FN7O3
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.22
• IUPAC Name: N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene
• SMILES: CCNC(=O)c1cnc2ccc(N3CC[C@H](NC(=O)c4cccn(C)c4=O)C3)nn12.Fc1ccccc1
• InChI: InChI=1S/C20H23N7O3.C6H5F/c1-3-21-19(29)15-11-22-16-6-7-17(24-27(15)16)26-10-8-13(12-26)23-18(28)14-5-4-9-25(2)20(14)30;7-6-4-2-1-3-5-6/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,21,29)(H,23,28);1-5H/t13-;/m0./s1
• InChIKey: ZQHXLSZVEGUAJD-ZOWNYOTGSA-N
• XLogP: 2.01
• TPSA: 113.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.55
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene?

The IUPAC name of N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene (CID 144738717) is N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene.

What is the SMILES notation for N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene?

The canonical SMILES for N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene is CCNC(=O)c1cnc2ccc(N3CC[C@H](NC(=O)c4cccn(C)c4=O)C3)nn12.Fc1ccccc1.

What is the InChIKey of N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene?

The InChIKey is ZQHXLSZVEGUAJD-ZOWNYOTGSA-N. The full InChI is InChI=1S/C20H23N7O3.C6H5F/c1-3-21-19(29)15-11-22-16-6-7-17(24-27(15)16)26-10-8-13(12-26)23-18(28)14-5-4-9-25(2)20(14)30;7-6-4-2-1-3-5-6/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,21,29)(H,23,28);1-5H/t13-;/m0./s1.

What are the key properties of N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene?

N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene has a molecular weight of 505.55 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene is sourced from PubChem (CID 144738717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).