6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[2-(3-methylmorpholin-4-yl)ethylamino]pyridine-3-carboxamide

C26H32FN7O3 — CID 118206299

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

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[2-(3-methylmorpholin-4-yl)ethylamino]pyridine-3-carboxamide (PubChem CID 118206299) has the molecular formula C26H32FN7O3 and a molecular weight of 509.59 g/mol. Its IUPAC name is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[2-(3-methylmorpholin-4-yl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[2-(3-methylmorpholin-4-yl)ethylamino]pyridine-3-carboxamide
• PubChem CID: 118206299
• Molecular Formula: C26H32FN7O3
• Molecular Weight: 509.59 g/mol
• Exact Mass: 509.26
• IUPAC Name: 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[2-(3-methylmorpholin-4-yl)ethylamino]pyridine-3-carboxamide
• SMILES: CC1COCCN1CCNc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O
• InChI: InChI=1S/C26H32FN7O3/c1-17-16-37-9-8-33(17)7-5-29-21-11-23(34-6-4-19-10-18(12-28)13-31-24(19)34)30-14-20(21)25(35)32-15-22(27)26(2,3)36/h4,6,10-11,13-14,17,22,36H,5,7-9,15-16H2,1-3H3,(H,29,30)(H,32,35)/t17?,22-/m1/s1
• InChIKey: CQXIZBOVDKRCMT-IVAFLUGOSA-N
• XLogP: 2.26
• TPSA: 128.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.59
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[2-(3-methylmorpholin-4-yl)ethylamino]pyridine-3-carboxamide?

The IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[2-(3-methylmorpholin-4-yl)ethylamino]pyridine-3-carboxamide (CID 118206299) is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[2-(3-methylmorpholin-4-yl)ethylamino]pyridine-3-carboxamide.

What is the SMILES notation for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[2-(3-methylmorpholin-4-yl)ethylamino]pyridine-3-carboxamide?

The canonical SMILES for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[2-(3-methylmorpholin-4-yl)ethylamino]pyridine-3-carboxamide is CC1COCCN1CCNc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O.

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

The InChIKey is CQXIZBOVDKRCMT-IVAFLUGOSA-N. The full InChI is InChI=1S/C26H32FN7O3/c1-17-16-37-9-8-33(17)7-5-29-21-11-23(34-6-4-19-10-18(12-28)13-31-24(19)34)30-14-20(21)25(35)32-15-22(27)26(2,3)36/h4,6,10-11,13-14,17,22,36H,5,7-9,15-16H2,1-3H3,(H,29,30)(H,32,35)/t17?,22-/m1/s1.

What are the key properties of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[2-(3-methylmorpholin-4-yl)ethylamino]pyridine-3-carboxamide?

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[2-(3-methylmorpholin-4-yl)ethylamino]pyridine-3-carboxamide has a molecular weight of 509.59 g/mol, XLogP of 2.26, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[2-(3-methylmorpholin-4-yl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 118206299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).