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

C23H23FN8O2 — CID 138703379

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxamide (PubChem CID 138703379) has the molecular formula C23H23FN8O2 and a molecular weight of 462.49 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylpyrazol-3-yl)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-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxamide
• PubChem CID: 138703379
• Molecular Formula: C23H23FN8O2
• Molecular Weight: 462.49 g/mol
• Exact Mass: 462.19
• IUPAC Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxamide
• SMILES: Cn1ccc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)n1
• InChI: InChI=1S/C23H23FN8O2/c1-23(2,34)20(24)13-27-22(33)16-12-26-18(9-17(16)29-21-6-7-31(3)30-21)19-5-4-15-8-14(10-25)11-28-32(15)19/h4-9,11-12,20,34H,13H2,1-3H3,(H,27,33)(H,26,29,30)/t20-/m1/s1
• InChIKey: DMARMMUHRMCIRW-HXUWFJFHSA-N
• XLogP: 2.58
• TPSA: 133.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.49
LogP ≤ 5	2.58
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-[(1-methylpyrazol-3-yl)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-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxamide (CID 138703379) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylpyrazol-3-yl)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-[(1-methylpyrazol-3-yl)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-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxamide is Cn1ccc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)n1.

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

The InChIKey is DMARMMUHRMCIRW-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23FN8O2/c1-23(2,34)20(24)13-27-22(33)16-12-26-18(9-17(16)29-21-6-7-31(3)30-21)19-5-4-15-8-14(10-25)11-28-32(15)19/h4-9,11-12,20,34H,13H2,1-3H3,(H,27,33)(H,26,29,30)/t20-/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-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxamide?

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 2.58, 7 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-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 138703379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).