6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide

C25H24FN7O3 — CID 138704126

About 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 138704126) has the molecular formula C25H24FN7O3 and a molecular weight of 489.51 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-methoxy-2-pyridinyl)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-[(5-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide
• PubChem CID: 138704126
• Molecular Formula: C25H24FN7O3
• Molecular Weight: 489.51 g/mol
• Exact Mass: 489.19
• IUPAC Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide
• SMILES: COc1ccc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)nc1
• InChI: InChI=1S/C25H24FN7O3/c1-25(2,35)22(26)14-30-24(34)18-13-28-20(9-19(18)32-23-7-5-17(36-3)12-29-23)21-6-4-16-8-15(10-27)11-31-33(16)21/h4-9,11-13,22,35H,14H2,1-3H3,(H,30,34)(H,28,29,32)/t22-/m1/s1
• InChIKey: LZTUQJRZKOMIKT-JOCHJYFZSA-N
• XLogP: 3.25
• TPSA: 137.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.51
LogP ≤ 5	3.25
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-[(5-methoxy-2-pyridinyl)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-[(5-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide (CID 138704126) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-methoxy-2-pyridinyl)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-[(5-methoxy-2-pyridinyl)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-[(5-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide is COc1ccc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)nc1.

What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide?

The InChIKey is LZTUQJRZKOMIKT-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24FN7O3/c1-25(2,35)22(26)14-30-24(34)18-13-28-20(9-19(18)32-23-7-5-17(36-3)12-29-23)21-6-4-16-8-15(10-27)11-31-33(16)21/h4-9,11-13,22,35H,14H2,1-3H3,(H,30,34)(H,28,29,32)/t22-/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-[(5-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide?

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 489.51 g/mol, XLogP of 3.25, 8 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-[(5-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 138704126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).