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

C23H27FN8O2 — CID 118206491

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

4-[(3-aminocyclopentyl)amino]-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (PubChem CID 118206491) has the molecular formula C23H27FN8O2 and a molecular weight of 466.52 g/mol. Its IUPAC name is 4-[(3-aminocyclopentyl)amino]-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-aminocyclopentyl)amino]-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
• PubChem CID: 118206491
• Molecular Formula: C23H27FN8O2
• Molecular Weight: 466.52 g/mol
• Exact Mass: 466.22
• IUPAC Name: 4-[(3-aminocyclopentyl)amino]-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
• SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CCC(N)C1
• InChI: InChI=1S/C23H27FN8O2/c1-23(2,34)19(24)12-29-22(33)17-11-27-20(7-18(17)31-16-4-3-15(26)6-16)32-21-14(10-30-32)5-13(8-25)9-28-21/h5,7,9-11,15-16,19,34H,3-4,6,12,26H2,1-2H3,(H,27,31)(H,29,33)/t15?,16?,19-/m1/s1
• InChIKey: KDRKBTLUUIXZBU-LADRWXRNSA-N
• XLogP: 1.82
• TPSA: 154.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.52
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-[(3-aminocyclopentyl)amino]-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (CID 118206491) is 4-[(3-aminocyclopentyl)amino]-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.

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

The canonical SMILES for 4-[(3-aminocyclopentyl)amino]-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CCC(N)C1.

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

The InChIKey is KDRKBTLUUIXZBU-LADRWXRNSA-N. The full InChI is InChI=1S/C23H27FN8O2/c1-23(2,34)19(24)12-29-22(33)17-11-27-20(7-18(17)31-16-4-3-15(26)6-16)32-21-14(10-30-32)5-13(8-25)9-28-21/h5,7,9-11,15-16,19,34H,3-4,6,12,26H2,1-2H3,(H,27,31)(H,29,33)/t15?,16?,19-/m1/s1.

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

4-[(3-aminocyclopentyl)amino]-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 1.82, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-aminocyclopentyl)amino]-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 118206491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).