N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]piperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

C20H24F5N5O3 — CID 146402290

About N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]piperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]piperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (PubChem CID 146402290) has the molecular formula C20H24F5N5O3 and a molecular weight of 477.43 g/mol. Its IUPAC name is N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]piperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.

Molecular Properties

• Compound Name: N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]piperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
• PubChem CID: 146402290
• Molecular Formula: C20H24F5N5O3
• Molecular Weight: 477.43 g/mol
• Exact Mass: 477.18
• IUPAC Name: N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]piperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
• SMILES: CC(C)(COc1ncccc1OC(F)(F)F)C(=O)N[C@@H]1CCNC[C@H]1c1cnn(C(F)F)c1
• InChI: InChI=1S/C20H24F5N5O3/c1-19(2,11-32-16-15(4-3-6-27-16)33-20(23,24)25)17(31)29-14-5-7-26-9-13(14)12-8-28-30(10-12)18(21)22/h3-4,6,8,10,13-14,18,26H,5,7,9,11H2,1-2H3,(H,29,31)/t13-,14+/m0/s1
• InChIKey: HFGIUPXYSSTTTH-UONOGXRCSA-N
• XLogP: 3.24
• TPSA: 90.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.43
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]piperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?

The IUPAC name of N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]piperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (CID 146402290) is N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]piperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.

What is the SMILES notation for N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]piperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?

The canonical SMILES for N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]piperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is CC(C)(COc1ncccc1OC(F)(F)F)C(=O)N[C@@H]1CCNC[C@H]1c1cnn(C(F)F)c1.

What is the InChIKey of N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]piperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?

The InChIKey is HFGIUPXYSSTTTH-UONOGXRCSA-N. The full InChI is InChI=1S/C20H24F5N5O3/c1-19(2,11-32-16-15(4-3-6-27-16)33-20(23,24)25)17(31)29-14-5-7-26-9-13(14)12-8-28-30(10-12)18(21)22/h3-4,6,8,10,13-14,18,26H,5,7,9,11H2,1-2H3,(H,29,31)/t13-,14+/m0/s1.

What are the key properties of N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]piperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?

N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]piperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide has a molecular weight of 477.43 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]piperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146402290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).