6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[3-(4-ethynyl-2-fluorophenoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H18F3N7O — CID 146660286

About 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[3-(4-ethynyl-2-fluorophenoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[3-(4-ethynyl-2-fluorophenoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146660286) has the molecular formula C28H18F3N7O and a molecular weight of 525.49 g/mol. Its IUPAC name is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[3-(4-ethynyl-2-fluorophenoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[3-(4-ethynyl-2-fluorophenoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146660286
• Molecular Formula: C28H18F3N7O
• Molecular Weight: 525.49 g/mol
• Exact Mass: 525.15
• IUPAC Name: 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[3-(4-ethynyl-2-fluorophenoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C#Cc1ccc(OC2CN(c3ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn3)C2)c(F)c1
• InChI: InChI=1S/C28H18F3N7O/c1-2-17-3-5-25(24(29)7-17)39-22-15-36(16-22)26-6-4-18(10-33-26)23-8-19(21-12-35-38(14-21)28(30)31)13-37-27(23)20(9-32)11-34-37/h1,3-8,10-14,22,28H,15-16H2
• InChIKey: XTIGLFDDIFANFE-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 84.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.49
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[3-(4-ethynyl-2-fluorophenoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[3-(4-ethynyl-2-fluorophenoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146660286) is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[3-(4-ethynyl-2-fluorophenoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[3-(4-ethynyl-2-fluorophenoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[3-(4-ethynyl-2-fluorophenoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#Cc1ccc(OC2CN(c3ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn3)C2)c(F)c1.

What is the InChIKey of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[3-(4-ethynyl-2-fluorophenoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is XTIGLFDDIFANFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F3N7O/c1-2-17-3-5-25(24(29)7-17)39-22-15-36(16-22)26-6-4-18(10-33-26)23-8-19(21-12-35-38(14-21)28(30)31)13-37-27(23)20(9-32)11-34-37/h1,3-8,10-14,22,28H,15-16H2.

What are the key properties of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[3-(4-ethynyl-2-fluorophenoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[3-(4-ethynyl-2-fluorophenoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 525.49 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[3-(4-ethynyl-2-fluorophenoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146660286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).