N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C25H18F11N5O2 — CID 175990415

About N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 175990415) has the molecular formula C25H18F11N5O2 and a molecular weight of 629.43 g/mol. Its IUPAC name is N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
• PubChem CID: 175990415
• Molecular Formula: C25H18F11N5O2
• Molecular Weight: 629.43 g/mol
• Exact Mass: 629.13
• IUPAC Name: N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
• SMILES: O=C(NCc1ccc(C(F)(F)F)c(-c2nc(C(F)(F)F)cc(=O)[nH]2)c1F)C1CCN(c2ncc(C(F)(F)F)cc2F)CC1
• InChI: InChI=1S/C25H18F11N5O2/c26-15-7-13(23(28,29)30)10-37-21(15)41-5-3-11(4-6-41)22(43)38-9-12-1-2-14(24(31,32)33)18(19(12)27)20-39-16(25(34,35)36)8-17(42)40-20/h1-2,7-8,10-11H,3-6,9H2,(H,38,43)(H,39,40,42)
• InChIKey: HPUJJBAXIOCAJT-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.43
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?

The IUPAC name of N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 175990415) is N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?

The canonical SMILES for N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is O=C(NCc1ccc(C(F)(F)F)c(-c2nc(C(F)(F)F)cc(=O)[nH]2)c1F)C1CCN(c2ncc(C(F)(F)F)cc2F)CC1.

What is the InChIKey of N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?

The InChIKey is HPUJJBAXIOCAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F11N5O2/c26-15-7-13(23(28,29)30)10-37-21(15)41-5-3-11(4-6-41)22(43)38-9-12-1-2-14(24(31,32)33)18(19(12)27)20-39-16(25(34,35)36)8-17(42)40-20/h1-2,7-8,10-11H,3-6,9H2,(H,38,43)(H,39,40,42).

What are the key properties of N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?

N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 629.43 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 175990415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).