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

C22H24FN7O3 — CID 118206683

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide (PubChem CID 118206683) has the molecular formula C22H24FN7O3 and a molecular weight of 453.48 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide
• PubChem CID: 118206683
• Molecular Formula: C22H24FN7O3
• Molecular Weight: 453.48 g/mol
• Exact Mass: 453.19
• IUPAC Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide
• SMILES: CC(C)(O)C(F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1N[C@@H]1C[C@H]1CO
• InChI: InChI=1S/C22H24FN7O3/c1-22(2,33)18(23)10-27-21(32)15-9-25-19(5-17(15)29-16-4-14(16)11-31)30-20-13(8-28-30)3-12(6-24)7-26-20/h3,5,7-9,14,16,18,31,33H,4,10-11H2,1-2H3,(H,25,29)(H,27,32)/t14-,16+,18?/m0/s1
• InChIKey: YPRBNMOLLIWNPY-QJZXMCBYSA-N
• XLogP: 1.32
• TPSA: 148.98 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	453.48
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide (CID 118206683) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide.

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

The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1N[C@@H]1C[C@H]1CO.

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

The InChIKey is YPRBNMOLLIWNPY-QJZXMCBYSA-N. The full InChI is InChI=1S/C22H24FN7O3/c1-22(2,33)18(23)10-27-21(32)15-9-25-19(5-17(15)29-16-4-14(16)11-31)30-20-13(8-28-30)3-12(6-24)7-26-20/h3,5,7-9,14,16,18,31,33H,4,10-11H2,1-2H3,(H,25,29)(H,27,32)/t14-,16+,18?/m0/s1.

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide has a molecular weight of 453.48 g/mol, XLogP of 1.32, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 118206683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).