6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide

C25H22FN11O2 — CID 118206823

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide (PubChem CID 118206823) has the molecular formula C25H22FN11O2 and a molecular weight of 527.52 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide
• PubChem CID: 118206823
• Molecular Formula: C25H22FN11O2
• Molecular Weight: 527.52 g/mol
• Exact Mass: 527.19
• IUPAC Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide
• SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(-c2ncccn2)c1
• InChI: InChI=1S/C25H22FN11O2/c1-25(2,39)20(26)13-32-23(38)18-12-30-21(37-22-16(10-34-37)6-15(8-27)9-31-22)7-19(18)35-17-11-33-36(14-17)24-28-4-3-5-29-24/h3-7,9-12,14,20,39H,13H2,1-2H3,(H,30,35)(H,32,38)/t20-/m1/s1
• InChIKey: QZHPWIXGGWUGOP-HXUWFJFHSA-N
• XLogP: 2.25
• TPSA: 172.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.52
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide (CID 118206823) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide.

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

The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(-c2ncccn2)c1.

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

The InChIKey is QZHPWIXGGWUGOP-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H22FN11O2/c1-25(2,39)20(26)13-32-23(38)18-12-30-21(37-22-16(10-34-37)6-15(8-27)9-31-22)7-19(18)35-17-11-33-36(14-17)24-28-4-3-5-29-24/h3-7,9-12,14,20,39H,13H2,1-2H3,(H,30,35)(H,32,38)/t20-/m1/s1.

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 527.52 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 118206823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).