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

C26H24FN9O2 — CID 138703929

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-methylimidazo[4,5-b]pyridin-6-yl)amino]pyridine-3-carboxamide (PubChem CID 138703929) has the molecular formula C26H24FN9O2 and a molecular weight of 513.54 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-methylimidazo[4,5-b]pyridin-6-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-[(3-methylimidazo[4,5-b]pyridin-6-yl)amino]pyridine-3-carboxamide
• PubChem CID: 138703929
• Molecular Formula: C26H24FN9O2
• Molecular Weight: 513.54 g/mol
• Exact Mass: 513.20
• IUPAC Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-methylimidazo[4,5-b]pyridin-6-yl)amino]pyridine-3-carboxamide
• SMILES: Cn1cnc2cc(Nc3cc(-c4ccc5cc(C#N)cnn45)ncc3C(=O)NC[C@@H](F)C(C)(C)O)cnc21
• InChI: InChI=1S/C26H24FN9O2/c1-26(2,38)23(27)13-31-25(37)18-12-29-20(22-5-4-17-6-15(9-28)10-33-36(17)22)8-19(18)34-16-7-21-24(30-11-16)35(3)14-32-21/h4-8,10-12,14,23,38H,13H2,1-3H3,(H,29,34)(H,31,37)/t23-/m1/s1
• InChIKey: KSRQENQYXHWMKH-HSZRJFAPSA-N
• XLogP: 3.13
• TPSA: 146.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.54
LogP ≤ 5	3.13
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-[(3-methylimidazo[4,5-b]pyridin-6-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-[(3-methylimidazo[4,5-b]pyridin-6-yl)amino]pyridine-3-carboxamide (CID 138703929) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-methylimidazo[4,5-b]pyridin-6-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-[(3-methylimidazo[4,5-b]pyridin-6-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-[(3-methylimidazo[4,5-b]pyridin-6-yl)amino]pyridine-3-carboxamide is Cn1cnc2cc(Nc3cc(-c4ccc5cc(C#N)cnn45)ncc3C(=O)NC[C@@H](F)C(C)(C)O)cnc21.

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

The InChIKey is KSRQENQYXHWMKH-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H24FN9O2/c1-26(2,38)23(27)13-31-25(37)18-12-29-20(22-5-4-17-6-15(9-28)10-33-36(17)22)8-19(18)34-16-7-21-24(30-11-16)35(3)14-32-21/h4-8,10-12,14,23,38H,13H2,1-3H3,(H,29,34)(H,31,37)/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-[(3-methylimidazo[4,5-b]pyridin-6-yl)amino]pyridine-3-carboxamide?

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-methylimidazo[4,5-b]pyridin-6-yl)amino]pyridine-3-carboxamide has a molecular weight of 513.54 g/mol, XLogP of 3.13, 7 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-[(3-methylimidazo[4,5-b]pyridin-6-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 138703929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).