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

C21H24F2N8O2 — CID 118207060

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

6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2R)-2-fluoropropyl]amino]pyridine-3-carboxamide (PubChem CID 118207060) has the molecular formula C21H24F2N8O2 and a molecular weight of 458.47 g/mol. Its IUPAC name is 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2R)-2-fluoropropyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2R)-2-fluoropropyl]amino]pyridine-3-carboxamide
• PubChem CID: 118207060
• Molecular Formula: C21H24F2N8O2
• Molecular Weight: 458.47 g/mol
• Exact Mass: 458.20
• IUPAC Name: 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2R)-2-fluoropropyl]amino]pyridine-3-carboxamide
• SMILES: C[C@@H](F)CNc1cc(-n2ncc3cc(C#N)c(N)nc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O
• InChI: InChI=1S/C21H24F2N8O2/c1-11(22)7-26-15-5-17(27-9-14(15)20(32)28-10-16(23)21(2,3)33)31-19-13(8-29-31)4-12(6-24)18(25)30-19/h4-5,8-9,11,16,33H,7,10H2,1-3H3,(H2,25,30)(H,26,27)(H,28,32)/t11-,16-/m1/s1
• InChIKey: XPZSXTHHZAXAFE-BDJLRTHQSA-N
• XLogP: 1.88
• TPSA: 154.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.47
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2R)-2-fluoropropyl]amino]pyridine-3-carboxamide (CID 118207060) is 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2R)-2-fluoropropyl]amino]pyridine-3-carboxamide.

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

The canonical SMILES for 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2R)-2-fluoropropyl]amino]pyridine-3-carboxamide is C[C@@H](F)CNc1cc(-n2ncc3cc(C#N)c(N)nc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O.

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

The InChIKey is XPZSXTHHZAXAFE-BDJLRTHQSA-N. The full InChI is InChI=1S/C21H24F2N8O2/c1-11(22)7-26-15-5-17(27-9-14(15)20(32)28-10-16(23)21(2,3)33)31-19-13(8-29-31)4-12(6-24)18(25)30-19/h4-5,8-9,11,16,33H,7,10H2,1-3H3,(H2,25,30)(H,26,27)(H,28,32)/t11-,16-/m1/s1.

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

6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2R)-2-fluoropropyl]amino]pyridine-3-carboxamide has a molecular weight of 458.47 g/mol, XLogP of 1.88, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2R)-2-fluoropropyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 118207060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).