6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H23F2N9O — CID 164920951

About 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164920951) has the molecular formula C25H23F2N9O and a molecular weight of 503.52 g/mol. Its IUPAC name is 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164920951
• Molecular Formula: C25H23F2N9O
• Molecular Weight: 503.52 g/mol
• Exact Mass: 503.20
• IUPAC Name: 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1c(-c2cc(OC(C)c3cncc(C(F)F)c3)c3c(C#N)cnn3c2)nnn1C1CCN(C#N)CC1
• InChI: InChI=1S/C25H23F2N9O/c1-15-23(32-33-36(15)21-3-5-34(14-29)6-4-21)19-8-22(24-20(9-28)12-31-35(24)13-19)37-16(2)17-7-18(25(26)27)11-30-10-17/h7-8,10-13,16,21,25H,3-6H2,1-2H3
• InChIKey: HOMHUTQFUXVYMW-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 120.95 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.52
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164920951) is 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(OC(C)c3cncc(C(F)F)c3)c3c(C#N)cnn3c2)nnn1C1CCN(C#N)CC1.

What is the InChIKey of 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is HOMHUTQFUXVYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N9O/c1-15-23(32-33-36(15)21-3-5-34(14-29)6-4-21)19-8-22(24-20(9-28)12-31-35(24)13-19)37-16(2)17-7-18(25(26)27)11-30-10-17/h7-8,10-13,16,21,25H,3-6H2,1-2H3.

What are the key properties of 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 503.52 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164920951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).