N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C20H19F4N7O — CID 168773621

About N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 168773621) has the molecular formula C20H19F4N7O and a molecular weight of 449.41 g/mol. Its IUPAC name is N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 168773621
• Molecular Formula: C20H19F4N7O
• Molecular Weight: 449.41 g/mol
• Exact Mass: 449.16
• IUPAC Name: N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CC(C)(F)CNC(=O)c1cnn2ccc(-c3c[nH]c4nc(NCC(F)(F)F)ncc34)cc12
• InChI: InChI=1S/C20H19F4N7O/c1-19(2,21)9-27-17(32)14-8-29-31-4-3-11(5-15(14)31)12-6-25-16-13(12)7-26-18(30-16)28-10-20(22,23)24/h3-8H,9-10H2,1-2H3,(H,27,32)(H2,25,26,28,30)
• InChIKey: WGQVRPRQZGIMNG-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 100.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.41
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 168773621) is N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(F)CNC(=O)c1cnn2ccc(-c3c[nH]c4nc(NCC(F)(F)F)ncc34)cc12.

What is the InChIKey of N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is WGQVRPRQZGIMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N7O/c1-19(2,21)9-27-17(32)14-8-29-31-4-3-11(5-15(14)31)12-6-25-16-13(12)7-26-18(30-16)28-10-20(22,23)24/h3-8H,9-10H2,1-2H3,(H,27,32)(H2,25,26,28,30).

What are the key properties of N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 449.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 168773621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).