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

C26H28FN9O3 — CID 118206936

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-3-carboxamide (PubChem CID 118206936) has the molecular formula C26H28FN9O3 and a molecular weight of 533.57 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(oxan-4-yl)pyrazol-4-yl]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-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-3-carboxamide
• PubChem CID: 118206936
• Molecular Formula: C26H28FN9O3
• Molecular Weight: 533.57 g/mol
• Exact Mass: 533.23
• IUPAC Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-3-carboxamide
• SMILES: CC(C)(O)C(F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(C2CCOCC2)c1
• InChI: InChI=1S/C26H28FN9O3/c1-26(2,38)22(27)14-31-25(37)20-13-29-23(36-24-17(11-33-36)7-16(9-28)10-30-24)8-21(20)34-18-12-32-35(15-18)19-3-5-39-6-4-19/h7-8,10-13,15,19,22,38H,3-6,14H2,1-2H3,(H,29,34)(H,31,37)
• InChIKey: MEGITHDTOCAYJP-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 155.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.57
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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-[[1-(oxan-4-yl)pyrazol-4-yl]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-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-3-carboxamide (CID 118206936) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(oxan-4-yl)pyrazol-4-yl]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-[[1-(oxan-4-yl)pyrazol-4-yl]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-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(C2CCOCC2)c1.

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

The InChIKey is MEGITHDTOCAYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN9O3/c1-26(2,38)22(27)14-31-25(37)20-13-29-23(36-24-17(11-33-36)7-16(9-28)10-30-24)8-21(20)34-18-12-32-35(15-18)19-3-5-39-6-4-19/h7-8,10-13,15,19,22,38H,3-6,14H2,1-2H3,(H,29,34)(H,31,37).

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 533.57 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 11 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-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 118206936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).