N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-difluorobenzamide

C30H30F2N6O3 — CID 134436097

About N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-difluorobenzamide

N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-difluorobenzamide (PubChem CID 134436097) has the molecular formula C30H30F2N6O3 and a molecular weight of 560.61 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-difluorobenzamide.

Molecular Properties

• Compound Name: N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-difluorobenzamide
• PubChem CID: 134436097
• Molecular Formula: C30H30F2N6O3
• Molecular Weight: 560.61 g/mol
• Exact Mass: 560.23
• IUPAC Name: N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-difluorobenzamide
• SMILES: CC(C)(O)COc1cc(-c2ccc(N3CCC(C)(NC(=O)c4c(F)cccc4F)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C30H30F2N6O3/c1-29(2,40)18-41-21-13-22(27-20(14-33)16-35-38(27)17-21)19-7-8-25(34-15-19)37-11-9-30(3,10-12-37)36-28(39)26-23(31)5-4-6-24(26)32/h4-8,13,15-17,40H,9-12,18H2,1-3H3,(H,36,39)
• InChIKey: AAGIBGNNSSLHNU-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 115.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.61
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-difluorobenzamide (CID 134436097) is N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-difluorobenzamide.

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

The canonical SMILES for N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-difluorobenzamide is CC(C)(O)COc1cc(-c2ccc(N3CCC(C)(NC(=O)c4c(F)cccc4F)CC3)nc2)c2c(C#N)cnn2c1.

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

The InChIKey is AAGIBGNNSSLHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N6O3/c1-29(2,40)18-41-21-13-22(27-20(14-33)16-35-38(27)17-21)19-7-8-25(34-15-19)37-11-9-30(3,10-12-37)36-28(39)26-23(31)5-4-6-24(26)32/h4-8,13,15-17,40H,9-12,18H2,1-3H3,(H,36,39).

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

N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-difluorobenzamide has a molecular weight of 560.61 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 134436097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).