4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[2-[1-(oxetan-3-yl)piperidin-4-yl]iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H28F2N8O3 — CID 169267503

About 4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[2-[1-(oxetan-3-yl)piperidin-4-yl]iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[2-[1-(oxetan-3-yl)piperidin-4-yl]iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 169267503) has the molecular formula C26H28F2N8O3 and a molecular weight of 538.56 g/mol. Its IUPAC name is 4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[2-[1-(oxetan-3-yl)piperidin-4-yl]iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[2-[1-(oxetan-3-yl)piperidin-4-yl]iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 169267503
• Molecular Formula: C26H28F2N8O3
• Molecular Weight: 538.56 g/mol
• Exact Mass: 538.23
• IUPAC Name: 4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[2-[1-(oxetan-3-yl)piperidin-4-yl]iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CC(=N\C1CCN(C2COC2)CC1)/C(=N\N)c1cc(OCC(O)c2ncc(F)cc2F)c2c(C#N)cnn2c1
• InChI: InChI=1S/C26H28F2N8O3/c1-15(33-19-2-4-35(5-3-19)20-12-38-13-20)24(34-30)16-6-23(26-17(8-29)9-32-36(26)11-16)39-14-22(37)25-21(28)7-18(27)10-31-25/h6-7,9-11,19-20,22,37H,2-5,12-14,30H2,1H3/b33-15+,34-24+
• InChIKey: OFIJJNBDOFUDDZ-NOVFNVOSSA-N
• XLogP: 1.98
• TPSA: 146.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.56
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[2-[1-(oxetan-3-yl)piperidin-4-yl]iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[2-[1-(oxetan-3-yl)piperidin-4-yl]iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 169267503) is 4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[2-[1-(oxetan-3-yl)piperidin-4-yl]iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[2-[1-(oxetan-3-yl)piperidin-4-yl]iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[2-[1-(oxetan-3-yl)piperidin-4-yl]iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(=N\C1CCN(C2COC2)CC1)/C(=N\N)c1cc(OCC(O)c2ncc(F)cc2F)c2c(C#N)cnn2c1.

What is the InChIKey of 4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[2-[1-(oxetan-3-yl)piperidin-4-yl]iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is OFIJJNBDOFUDDZ-NOVFNVOSSA-N. The full InChI is InChI=1S/C26H28F2N8O3/c1-15(33-19-2-4-35(5-3-19)20-12-38-13-20)24(34-30)16-6-23(26-17(8-29)9-32-36(26)11-16)39-14-22(37)25-21(28)7-18(27)10-31-25/h6-7,9-11,19-20,22,37H,2-5,12-14,30H2,1H3/b33-15+,34-24+.

What are the key properties of 4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[2-[1-(oxetan-3-yl)piperidin-4-yl]iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[2-[1-(oxetan-3-yl)piperidin-4-yl]iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 538.56 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[2-[1-(oxetan-3-yl)piperidin-4-yl]iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 169267503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).