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

C26H23FN10O2 — CID 135307801

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide (PubChem CID 135307801) has the molecular formula C26H23FN10O2 and a molecular weight of 526.54 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-(1H-pyrazol-4-yl)pyrazin-2-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-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide
• PubChem CID: 135307801
• Molecular Formula: C26H23FN10O2
• Molecular Weight: 526.54 g/mol
• Exact Mass: 526.20
• IUPAC Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide
• SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnc(-c2cn[nH]c2)cn1
• InChI: InChI=1S/C26H23FN10O2/c1-26(2,39)23(27)13-32-25(38)18-11-29-20(22-4-3-17-5-15(7-28)8-35-37(17)22)6-19(18)36-24-14-30-21(12-31-24)16-9-33-34-10-16/h3-6,8-12,14,23,39H,13H2,1-2H3,(H,32,38)(H,33,34)(H,29,31,36)/t23-/m1/s1
• InChIKey: ZGYSAJADSGNMIL-HSZRJFAPSA-N
• XLogP: 3.03
• TPSA: 169.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.54
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	4
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-[[5-(1H-pyrazol-4-yl)pyrazin-2-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-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide (CID 135307801) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-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-[[5-(1H-pyrazol-4-yl)pyrazin-2-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-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnc(-c2cn[nH]c2)cn1.

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

The InChIKey is ZGYSAJADSGNMIL-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H23FN10O2/c1-26(2,39)23(27)13-32-25(38)18-11-29-20(22-4-3-17-5-15(7-28)8-35-37(17)22)6-19(18)36-24-14-30-21(12-31-24)16-9-33-34-10-16/h3-6,8-12,14,23,39H,13H2,1-2H3,(H,32,38)(H,33,34)(H,29,31,36)/t23-/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-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide?

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide has a molecular weight of 526.54 g/mol, XLogP of 3.03, 8 rotatable bonds, 4 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-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 135307801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).