N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide

C32H31FN6O2 — CID 155296221

About N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide

N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide (PubChem CID 155296221) has the molecular formula C32H31FN6O2 and a molecular weight of 550.64 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
• PubChem CID: 155296221
• Molecular Formula: C32H31FN6O2
• Molecular Weight: 550.64 g/mol
• Exact Mass: 550.25
• IUPAC Name: N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
• SMILES: Cc1ccc(F)cc1C(=O)NC1(C)CCN(c2ccc(-c3cc(C#CC(C)(C)O)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C32H31FN6O2/c1-21-5-7-25(33)16-26(21)30(40)37-32(4)11-13-38(14-12-32)28-8-6-23(18-35-28)27-15-22(9-10-31(2,3)41)20-39-29(27)24(17-34)19-36-39/h5-8,15-16,18-20,41H,11-14H2,1-4H3,(H,37,40)
• InChIKey: BIHCUEKPSOAFTJ-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 106.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.64
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?

The IUPAC name of N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide (CID 155296221) is N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide.

What is the SMILES notation for N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?

The canonical SMILES for N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NC1(C)CCN(c2ccc(-c3cc(C#CC(C)(C)O)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?

The InChIKey is BIHCUEKPSOAFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN6O2/c1-21-5-7-25(33)16-26(21)30(40)37-32(4)11-13-38(14-12-32)28-8-6-23(18-35-28)27-15-22(9-10-31(2,3)41)20-39-29(27)24(17-34)19-36-39/h5-8,15-16,18-20,41H,11-14H2,1-4H3,(H,37,40).

What are the key properties of N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?

N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 550.64 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 155296221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).