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

C21H22F3N7O2 — CID 139508209

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

6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-(2,2-difluoropropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (PubChem CID 139508209) has the molecular formula C21H22F3N7O2 and a molecular weight of 461.45 g/mol. Its IUPAC name is 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-(2,2-difluoropropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-(2,2-difluoropropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
• PubChem CID: 139508209
• Molecular Formula: C21H22F3N7O2
• Molecular Weight: 461.45 g/mol
• Exact Mass: 461.18
• IUPAC Name: 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-(2,2-difluoropropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
• SMILES: CC(F)(F)CNc1cc(-c2cnn3cc(C#N)cnc23)ncc1C(=O)NCC(F)C(C)(C)O
• InChI: InChI=1S/C21H22F3N7O2/c1-20(2,33)17(22)9-28-19(32)14-7-26-15(4-16(14)29-11-21(3,23)24)13-8-30-31-10-12(5-25)6-27-18(13)31/h4,6-8,10,17,33H,9,11H2,1-3H3,(H,26,29)(H,28,32)
• InChIKey: LTQACKUUICSYPF-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 128.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.45
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-(2,2-difluoropropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (CID 139508209) is 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-(2,2-difluoropropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

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

The canonical SMILES for 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-(2,2-difluoropropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is CC(F)(F)CNc1cc(-c2cnn3cc(C#N)cnc23)ncc1C(=O)NCC(F)C(C)(C)O.

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

The InChIKey is LTQACKUUICSYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N7O2/c1-20(2,33)17(22)9-28-19(32)14-7-26-15(4-16(14)29-11-21(3,23)24)13-8-30-31-10-12(5-25)6-27-18(13)31/h4,6-8,10,17,33H,9,11H2,1-3H3,(H,26,29)(H,28,32).

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

6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-(2,2-difluoropropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 461.45 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)-4-(2,2-difluoropropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 139508209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).