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

C24H28FN7O3 — CID 118206456

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide (PubChem CID 118206456) has the molecular formula C24H28FN7O3 and a molecular weight of 481.53 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(4-hydroxycyclohexyl)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-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide
• PubChem CID: 118206456
• Molecular Formula: C24H28FN7O3
• Molecular Weight: 481.53 g/mol
• Exact Mass: 481.22
• IUPAC Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide
• SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CCC(O)CC1
• InChI: InChI=1S/C24H28FN7O3/c1-24(2,35)20(25)13-29-23(34)18-12-27-21(8-19(18)31-16-3-5-17(33)6-4-16)32-22-15(11-30-32)7-14(9-26)10-28-22/h7-8,10-12,16-17,20,33,35H,3-6,13H2,1-2H3,(H,27,31)(H,29,34)/t16?,17?,20-/m1/s1
• InChIKey: TXLHDEWLYGJNKQ-LBXVMSDZSA-N
• XLogP: 2.24
• TPSA: 148.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.53
LogP ≤ 5	2.24
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-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(4-hydroxycyclohexyl)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-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide (CID 118206456) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(4-hydroxycyclohexyl)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-[(4-hydroxycyclohexyl)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-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CCC(O)CC1.

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

The InChIKey is TXLHDEWLYGJNKQ-LBXVMSDZSA-N. The full InChI is InChI=1S/C24H28FN7O3/c1-24(2,35)20(25)13-29-23(34)18-12-27-21(8-19(18)31-16-3-5-17(33)6-4-16)32-22-15(11-30-32)7-14(9-26)10-28-22/h7-8,10-12,16-17,20,33,35H,3-6,13H2,1-2H3,(H,27,31)(H,29,34)/t16?,17?,20-/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-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide?

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 2.24, 7 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-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 118206456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).