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

C24H23FN8O3 — CID 138704328

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-methoxypyrimidin-4-yl)amino]pyridine-3-carboxamide (PubChem CID 138704328) has the molecular formula C24H23FN8O3 and a molecular weight of 490.50 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-methoxypyrimidin-4-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-[(6-methoxypyrimidin-4-yl)amino]pyridine-3-carboxamide
• PubChem CID: 138704328
• Molecular Formula: C24H23FN8O3
• Molecular Weight: 490.50 g/mol
• Exact Mass: 490.19
• IUPAC Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-methoxypyrimidin-4-yl)amino]pyridine-3-carboxamide
• SMILES: COc1cc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)ncn1
• InChI: InChI=1S/C24H23FN8O3/c1-24(2,35)20(25)12-28-23(34)16-11-27-18(7-17(16)32-21-8-22(36-3)30-13-29-21)19-5-4-15-6-14(9-26)10-31-33(15)19/h4-8,10-11,13,20,35H,12H2,1-3H3,(H,28,34)(H,27,29,30,32)/t20-/m1/s1
• InChIKey: BRPQENVOVVABHB-HXUWFJFHSA-N
• XLogP: 2.65
• TPSA: 150.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.50
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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-[(6-methoxypyrimidin-4-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-[(6-methoxypyrimidin-4-yl)amino]pyridine-3-carboxamide (CID 138704328) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-methoxypyrimidin-4-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-[(6-methoxypyrimidin-4-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-[(6-methoxypyrimidin-4-yl)amino]pyridine-3-carboxamide is COc1cc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)ncn1.

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

The InChIKey is BRPQENVOVVABHB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H23FN8O3/c1-24(2,35)20(25)12-28-23(34)16-11-27-18(7-17(16)32-21-8-22(36-3)30-13-29-21)19-5-4-15-6-14(9-26)10-31-33(15)19/h4-8,10-11,13,20,35H,12H2,1-3H3,(H,28,34)(H,27,29,30,32)/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-[(6-methoxypyrimidin-4-yl)amino]pyridine-3-carboxamide?

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-methoxypyrimidin-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 490.50 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 10 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-[(6-methoxypyrimidin-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 138704328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).