6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile

C21H20F3N7O — CID 164921193

About 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164921193) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164921193
• Molecular Formula: C21H20F3N7O
• Molecular Weight: 443.43 g/mol
• Exact Mass: 443.17
• IUPAC Name: 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1c(-c2cc(O[C@H](C)C(F)(F)F)c3c(C#N)cnn3c2)cnn1C1CCN(C#N)CC1
• InChI: InChI=1S/C21H20F3N7O/c1-13-18(10-28-31(13)17-3-5-29(12-26)6-4-17)15-7-19(32-14(2)21(22,23)24)20-16(8-25)9-27-30(20)11-15/h7,9-11,14,17H,3-6H2,1-2H3/t14-/m1/s1
• InChIKey: VBBOUHBMZMFPMM-CQSZACIVSA-N
• XLogP: 3.83
• TPSA: 95.17 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.43
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164921193) is 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(O[C@H](C)C(F)(F)F)c3c(C#N)cnn3c2)cnn1C1CCN(C#N)CC1.

What is the InChIKey of 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is VBBOUHBMZMFPMM-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20F3N7O/c1-13-18(10-28-31(13)17-3-5-29(12-26)6-4-17)15-7-19(32-14(2)21(22,23)24)20-16(8-25)9-27-30(20)11-15/h7,9-11,14,17H,3-6H2,1-2H3/t14-/m1/s1.

What are the key properties of 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 443.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164921193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).