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

C27H24FN9O2 — CID 138703570

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-pyridin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide (PubChem CID 138703570) has the molecular formula C27H24FN9O2 and a molecular weight of 525.55 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-pyridin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-pyridin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide
• PubChem CID: 138703570
• Molecular Formula: C27H24FN9O2
• Molecular Weight: 525.55 g/mol
• Exact Mass: 525.20
• IUPAC Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-pyridin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide
• SMILES: CC(C)(O)C(F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnn(-c2ccccn2)c1
• InChI: InChI=1S/C27H24FN9O2/c1-27(2,39)24(28)15-32-26(38)20-14-31-22(23-7-6-19-9-17(11-29)12-34-37(19)23)10-21(20)35-18-13-33-36(16-18)25-5-3-4-8-30-25/h3-10,12-14,16,24,39H,15H2,1-2H3,(H,31,35)(H,32,38)
• InChIKey: NSZCULUVAGRLNV-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 146.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.55
LogP ≤ 5	3.43
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-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-pyridin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide?

The IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-pyridin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide (CID 138703570) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-pyridin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide.

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

The canonical SMILES for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-pyridin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnn(-c2ccccn2)c1.

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

The InChIKey is NSZCULUVAGRLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN9O2/c1-27(2,39)24(28)15-32-26(38)20-14-31-22(23-7-6-19-9-17(11-29)12-34-37(19)23)10-21(20)35-18-13-33-36(16-18)25-5-3-4-8-30-25/h3-10,12-14,16,24,39H,15H2,1-2H3,(H,31,35)(H,32,38).

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-pyridin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 525.55 g/mol, XLogP of 3.43, 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-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-pyridin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 138703570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).