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

C31H26N8O — CID 164754989

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

1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-ethynylphenyl)piperidine-4-carboxamide (PubChem CID 164754989) has the molecular formula C31H26N8O and a molecular weight of 526.60 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-(3-ethynylphenyl)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-(3-ethynylphenyl)piperidine-4-carboxamide
• PubChem CID: 164754989
• Molecular Formula: C31H26N8O
• Molecular Weight: 526.60 g/mol
• Exact Mass: 526.22
• IUPAC Name: 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-ethynylphenyl)piperidine-4-carboxamide
• SMILES: C#Cc1cccc(NC(=O)C2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)c1
• InChI: InChI=1S/C31H26N8O/c1-3-21-5-4-6-27(13-21)36-31(40)22-9-11-38(12-10-22)29-8-7-23(16-33-29)28-14-24(26-18-34-37(2)19-26)20-39-30(28)25(15-32)17-35-39/h1,4-8,13-14,16-20,22H,9-12H2,2H3,(H,36,40)
• InChIKey: GIJVVJDJMJCKBP-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 104.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.60
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', '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-(3-ethynylphenyl)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-(3-ethynylphenyl)piperidine-4-carboxamide (CID 164754989) is 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-ethynylphenyl)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-(3-ethynylphenyl)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-(3-ethynylphenyl)piperidine-4-carboxamide is C#Cc1cccc(NC(=O)C2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)c1.

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

The InChIKey is GIJVVJDJMJCKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N8O/c1-3-21-5-4-6-27(13-21)36-31(40)22-9-11-38(12-10-22)29-8-7-23(16-33-29)28-14-24(26-18-34-37(2)19-26)20-39-30(28)25(15-32)17-35-39/h1,4-8,13-14,16-20,22H,9-12H2,2H3,(H,36,40).

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-(3-ethynylphenyl)piperidine-4-carboxamide?

1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-ethynylphenyl)piperidine-4-carboxamide has a molecular weight of 526.60 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-(3-ethynylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 164754989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).