1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(5-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide

C31H33FN6O3 — CID 134435125

About 1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(5-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide

1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(5-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide (PubChem CID 134435125) has the molecular formula C31H33FN6O3 and a molecular weight of 556.64 g/mol. Its IUPAC name is 1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(5-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(5-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
• PubChem CID: 134435125
• Molecular Formula: C31H33FN6O3
• Molecular Weight: 556.64 g/mol
• Exact Mass: 556.26
• IUPAC Name: 1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(5-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
• SMILES: Cc1ccc(F)cc1NC(=O)C1(C)CCN(c2ccc(-c3cc(OCC(C)(C)O)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C31H33FN6O3/c1-20-5-7-23(32)13-26(20)36-29(39)31(4)9-11-37(12-10-31)27-8-6-21(16-34-27)25-14-24(41-19-30(2,3)40)18-38-28(25)22(15-33)17-35-38/h5-8,13-14,16-18,40H,9-12,19H2,1-4H3,(H,36,39)
• InChIKey: QJVVFQLYKPLASN-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 115.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.64
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(5-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide?

The IUPAC name of 1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(5-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide (CID 134435125) is 1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(5-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(5-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide?

The canonical SMILES for 1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(5-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide is Cc1ccc(F)cc1NC(=O)C1(C)CCN(c2ccc(-c3cc(OCC(C)(C)O)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(5-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide?

The InChIKey is QJVVFQLYKPLASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN6O3/c1-20-5-7-23(32)13-26(20)36-29(39)31(4)9-11-37(12-10-31)27-8-6-21(16-34-27)25-14-24(41-19-30(2,3)40)18-38-28(25)22(15-33)17-35-38/h5-8,13-14,16-18,40H,9-12,19H2,1-4H3,(H,36,39).

What are the key properties of 1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(5-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide?

1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(5-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide has a molecular weight of 556.64 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(5-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 134435125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).