3-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylazetidin-3-yl]-5-fluoro-2-methylbenzamide

C₂₉H₂₉FN₆O₃ — CID 153410284

About 3-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylazetidin-3-yl]-5-fluoro-2-methylbenzamide

3-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylazetidin-3-yl]-5-fluoro-2-methylbenzamide (PubChem CID 153410284) has the molecular formula C₂₉H₂₉FN₆O₃ and a molecular weight of 528.59 g/mol. Its IUPAC name is 3-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylazetidin-3-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

• Compound Name: 3-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylazetidin-3-yl]-5-fluoro-2-methylbenzamide
• PubChem CID: 153410284
• Molecular Formula: C₂₉H₂₉FN₆O₃
• Molecular Weight: 528.59 g/mol
• Exact Mass: 528.23
• IUPAC Name: 3-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylazetidin-3-yl]-5-fluoro-2-methylbenzamide
• SMILES: Cc1c(C(N)=O)cc(F)cc1C1(C)CN(c2ccc(-c3cc(OCC(C)(C)O)cn4ncc(C#N)c34)cn2)C1
• InChI: InChI=1S/C29H29FN6O3/c1-17-22(27(32)37)7-20(30)8-24(17)29(4)14-35(15-29)25-6-5-18(11-33-25)23-9-21(39-16-28(2,3)38)13-36-26(23)19(10-31)12-34-36/h5-9,11-13,38H,14-16H2,1-4H3,(H2,32,37)
• InChIKey: DCWAUPDNNNPKKV-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 129.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.59
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylazetidin-3-yl]-5-fluoro-2-methylbenzamide (CID 153410284) is 3-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylazetidin-3-yl]-5-fluoro-2-methylbenzamide.

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

The canonical SMILES for 3-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylazetidin-3-yl]-5-fluoro-2-methylbenzamide is Cc1c(C(N)=O)cc(F)cc1C1(C)CN(c2ccc(-c3cc(OCC(C)(C)O)cn4ncc(C#N)c34)cn2)C1.

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

The InChIKey is DCWAUPDNNNPKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN6O3/c1-17-22(27(32)37)7-20(30)8-24(17)29(4)14-35(15-29)25-6-5-18(11-33-25)23-9-21(39-16-28(2,3)38)13-36-26(23)19(10-31)12-34-36/h5-9,11-13,38H,14-16H2,1-4H3,(H2,32,37).

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

3-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylazetidin-3-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 528.59 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylazetidin-3-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 153410284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153410284 — identifiers, structure, computed properties (public domain)

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