4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C₂₆H₂₉N₇O₃ — CID 154950958

About 4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 154950958) has the molecular formula C₂₆H₂₉N₇O₃ and a molecular weight of 487.56 g/mol. Its IUPAC name is 4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 154950958
• Molecular Formula: C₂₆H₂₉N₇O₃
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.23
• IUPAC Name: 4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C=CC(=O)N1CC(C)(C(=O)N2CCC(n3ncc(-c4cc(OC)c5c(C#N)cnn5c4)c3C)CC2)C1
• InChI: InChI=1S/C26H29N7O3/c1-5-23(34)31-15-26(3,16-31)25(35)30-8-6-20(7-9-30)33-17(2)21(13-29-33)18-10-22(36-4)24-19(11-27)12-28-32(24)14-18/h5,10,12-14,20H,1,6-9,15-16H2,2-4H3
• InChIKey: MIGRDHVJFBYULX-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 108.76 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 154950958) is 4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=CC(=O)N1CC(C)(C(=O)N2CCC(n3ncc(-c4cc(OC)c5c(C#N)cnn5c4)c3C)CC2)C1.

What is the InChIKey of 4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is MIGRDHVJFBYULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-5-23(34)31-15-26(3,16-31)25(35)30-8-6-20(7-9-30)33-17(2)21(13-29-33)18-10-22(36-4)24-19(11-27)12-28-32(24)14-18/h5,10,12-14,20H,1,6-9,15-16H2,2-4H3.

What are the key properties of 4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 487.56 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 154950958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154950958 — identifiers, structure, computed properties (public domain)

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