6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C23H23FN6O2 — CID 146667161

About 6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146667161) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146667161
• Molecular Formula: C23H23FN6O2
• Molecular Weight: 434.48 g/mol
• Exact Mass: 434.19
• IUPAC Name: 6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C=C(C)C(=O)N1CCN(c2ncc(-c3cc(OCC)cn4ncc(C#N)c34)cc2F)CC1
• InChI: InChI=1S/C23H23FN6O2/c1-4-32-18-10-19(21-17(11-25)13-27-30(21)14-18)16-9-20(24)22(26-12-16)28-5-7-29(8-6-28)23(31)15(2)3/h9-10,12-14H,2,4-8H2,1,3H3
• InChIKey: ZWBDNIKUATXZMC-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 86.76 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.48
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146667161) is 6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=C(C)C(=O)N1CCN(c2ncc(-c3cc(OCC)cn4ncc(C#N)c34)cc2F)CC1.

What is the InChIKey of 6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is ZWBDNIKUATXZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-4-32-18-10-19(21-17(11-25)13-27-30(21)14-18)16-9-20(24)22(26-12-16)28-5-7-29(8-6-28)23(31)15(2)3/h9-10,12-14H,2,4-8H2,1,3H3.

What are the key properties of 6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 434.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146667161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).