N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-(trifluoromethyl)benzamide

C28H25F4N7O2 — CID 134435779

About N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-(trifluoromethyl)benzamide

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-(trifluoromethyl)benzamide (PubChem CID 134435779) has the molecular formula C28H25F4N7O2 and a molecular weight of 567.55 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-(trifluoromethyl)benzamide
• PubChem CID: 134435779
• Molecular Formula: C28H25F4N7O2
• Molecular Weight: 567.55 g/mol
• Exact Mass: 567.20
• IUPAC Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-(trifluoromethyl)benzamide
• SMILES: CCOc1cc(-c2cnc(N3CCC(C)(NC(=O)c4cc(F)ccc4C(F)(F)F)CC3)cn2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C28H25F4N7O2/c1-3-41-19-11-21(25-17(12-33)13-36-39(25)16-19)23-14-35-24(15-34-23)38-8-6-27(2,7-9-38)37-26(40)20-10-18(29)4-5-22(20)28(30,31)32/h4-5,10-11,13-16H,3,6-9H2,1-2H3,(H,37,40)
• InChIKey: NZKNDSSHGCGENU-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 108.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.55
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-(trifluoromethyl)benzamide?

The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-(trifluoromethyl)benzamide (CID 134435779) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-(trifluoromethyl)benzamide?

The canonical SMILES for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-(trifluoromethyl)benzamide is CCOc1cc(-c2cnc(N3CCC(C)(NC(=O)c4cc(F)ccc4C(F)(F)F)CC3)cn2)c2c(C#N)cnn2c1.

What is the InChIKey of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-(trifluoromethyl)benzamide?

The InChIKey is NZKNDSSHGCGENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F4N7O2/c1-3-41-19-11-21(25-17(12-33)13-36-39(25)16-19)23-14-35-24(15-34-23)38-8-6-27(2,7-9-38)37-26(40)20-10-18(29)4-5-22(20)28(30,31)32/h4-5,10-11,13-16H,3,6-9H2,1-2H3,(H,37,40).

What are the key properties of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-(trifluoromethyl)benzamide?

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-(trifluoromethyl)benzamide has a molecular weight of 567.55 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 134435779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).