6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutyl]amino]pyridine-3-carboxamide

C27H30FN7O4 — CID 138704281

About 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutyl]amino]pyridine-3-carboxamide

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutyl]amino]pyridine-3-carboxamide (PubChem CID 138704281) has the molecular formula C27H30FN7O4 and a molecular weight of 535.58 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutyl]amino]pyridine-3-carboxamide
• PubChem CID: 138704281
• Molecular Formula: C27H30FN7O4
• Molecular Weight: 535.58 g/mol
• Exact Mass: 535.23
• IUPAC Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutyl]amino]pyridine-3-carboxamide
• SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CC(CN2CCOC2=O)C1
• InChI: InChI=1S/C27H30FN7O4/c1-27(2,38)24(28)14-31-25(36)20-13-30-22(23-4-3-19-9-17(11-29)12-32-35(19)23)10-21(20)33-18-7-16(8-18)15-34-5-6-39-26(34)37/h3-4,9-10,12-13,16,18,24,38H,5-8,14-15H2,1-2H3,(H,30,33)(H,31,36)/t16?,18?,24-/m1/s1
• InChIKey: IGAHBFOGOGCIJX-HJMRYINQSA-N
• XLogP: 2.75
• TPSA: 144.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.58
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutyl]amino]pyridine-3-carboxamide?

The IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutyl]amino]pyridine-3-carboxamide (CID 138704281) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutyl]amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CC(CN2CCOC2=O)C1.

What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutyl]amino]pyridine-3-carboxamide?

The InChIKey is IGAHBFOGOGCIJX-HJMRYINQSA-N. The full InChI is InChI=1S/C27H30FN7O4/c1-27(2,38)24(28)14-31-25(36)20-13-30-22(23-4-3-19-9-17(11-29)12-32-35(19)23)10-21(20)33-18-7-16(8-18)15-34-5-6-39-26(34)37/h3-4,9-10,12-13,16,18,24,38H,5-8,14-15H2,1-2H3,(H,30,33)(H,31,36)/t16?,18?,24-/m1/s1.

What are the key properties of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutyl]amino]pyridine-3-carboxamide?

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutyl]amino]pyridine-3-carboxamide has a molecular weight of 535.58 g/mol, XLogP of 2.75, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 138704281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).