1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide

C28H32N8O2 — CID 126740060

About 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide

1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide (PubChem CID 126740060) has the molecular formula C28H32N8O2 and a molecular weight of 512.62 g/mol. Its IUPAC name is 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
• PubChem CID: 126740060
• Molecular Formula: C28H32N8O2
• Molecular Weight: 512.62 g/mol
• Exact Mass: 512.26
• IUPAC Name: 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
• SMILES: CC(C)OCCNC(=O)C1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C28H32N8O2/c1-19(2)38-11-8-30-28(37)20-6-9-35(10-7-20)26-5-4-21(14-31-26)25-12-22(24-16-32-34(3)17-24)18-36-27(25)23(13-29)15-33-36/h4-5,12,14-20H,6-11H2,1-3H3,(H,30,37)
• InChIKey: WWNCUFNOFNIGDI-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 113.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.62
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide?

The IUPAC name of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide (CID 126740060) is 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide?

The canonical SMILES for 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide is CC(C)OCCNC(=O)C1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide?

The InChIKey is WWNCUFNOFNIGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O2/c1-19(2)38-11-8-30-28(37)20-6-9-35(10-7-20)26-5-4-21(14-31-26)25-12-22(24-16-32-34(3)17-24)18-36-27(25)23(13-29)15-33-36/h4-5,12,14-20H,6-11H2,1-3H3,(H,30,37).

What are the key properties of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide?

1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide has a molecular weight of 512.62 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 126740060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).