6-[(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide

C21H25FN8O2 — CID 123793142

About 6-[(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide

6-[(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 123793142) has the molecular formula C21H25FN8O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is 6-[(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 123793142
• Molecular Formula: C21H25FN8O2
• Molecular Weight: 440.48 g/mol
• Exact Mass: 440.21
• IUPAC Name: 6-[(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
• SMILES: CC(C)Nc1cc(Nc2ccn3ncc(C#N)c3n2)ncc1C(=O)NCC(F)C(C)(C)O
• InChI: InChI=1S/C21H25FN8O2/c1-12(2)27-15-7-18(24-10-14(15)20(31)25-11-16(22)21(3,4)32)28-17-5-6-30-19(29-17)13(8-23)9-26-30/h5-7,9-10,12,16,32H,11H2,1-4H3,(H,25,31)(H2,24,27,28,29)
• InChIKey: UGOHEFVPRXKRKY-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 140.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.48
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?

The IUPAC name of 6-[(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 123793142) is 6-[(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for 6-[(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?

The canonical SMILES for 6-[(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(Nc2ccn3ncc(C#N)c3n2)ncc1C(=O)NCC(F)C(C)(C)O.

What is the InChIKey of 6-[(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?

The InChIKey is UGOHEFVPRXKRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN8O2/c1-12(2)27-15-7-18(24-10-14(15)20(31)25-11-16(22)21(3,4)32)28-17-5-6-30-19(29-17)13(8-23)9-26-30/h5-7,9-10,12,16,32H,11H2,1-4H3,(H,25,31)(H2,24,27,28,29).

What are the key properties of 6-[(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?

6-[(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 2.40, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 123793142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).