6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H26FN9O2 — CID 164921348

About 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164921348) has the molecular formula C25H26FN9O2 and a molecular weight of 503.54 g/mol. Its IUPAC name is 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164921348
• Molecular Formula: C25H26FN9O2
• Molecular Weight: 503.54 g/mol
• Exact Mass: 503.22
• IUPAC Name: 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COCC(Oc1cc(C(=N/N)/C(C)=N/C2CCN(C#N)CC2)cn2ncc(C#N)c12)c1ccc(F)cn1
• InChI: InChI=1S/C25H26FN9O2/c1-16(32-20-5-7-34(15-28)8-6-20)24(33-29)17-9-22(25-18(10-27)11-31-35(25)13-17)37-23(14-36-2)21-4-3-19(26)12-30-21/h3-4,9,11-13,20,23H,5-8,14,29H2,1-2H3/b32-16+,33-24+
• InChIKey: BIMGRLQHCNQZCY-HFUDCZDOSA-N
• XLogP: 2.58
• TPSA: 150.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.54
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', '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 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164921348) is 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is COCC(Oc1cc(C(=N/N)/C(C)=N/C2CCN(C#N)CC2)cn2ncc(C#N)c12)c1ccc(F)cn1.

What is the InChIKey of 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is BIMGRLQHCNQZCY-HFUDCZDOSA-N. The full InChI is InChI=1S/C25H26FN9O2/c1-16(32-20-5-7-34(15-28)8-6-20)24(33-29)17-9-22(25-18(10-27)11-31-35(25)13-17)37-23(14-36-2)21-4-3-19(26)12-30-21/h3-4,9,11-13,20,23H,5-8,14,29H2,1-2H3/b32-16+,33-24+.

What are the key properties of 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 503.54 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164921348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).