2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide

C23H18F4N6O — CID 161400584

About 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide

2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 161400584) has the molecular formula C23H18F4N6O and a molecular weight of 470.43 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
• PubChem CID: 161400584
• Molecular Formula: C23H18F4N6O
• Molecular Weight: 470.43 g/mol
• Exact Mass: 470.15
• IUPAC Name: 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
• SMILES: Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C(F)(F)F)ccn4)c(F)c3)cn2)cn1
• InChI: InChI=1S/C23H18F4N6O/c1-33-13-14(10-31-33)6-20-29-11-17(12-30-20)15-2-3-16(19(24)7-15)8-22(34)32-21-9-18(4-5-28-21)23(25,26)27/h2-5,7,9-13H,6,8H2,1H3,(H,28,32,34)
• InChIKey: VUELFMSTZBDRME-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.43
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?

The IUPAC name of 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 161400584) is 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.

What is the SMILES notation for 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?

The canonical SMILES for 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C(F)(F)F)ccn4)c(F)c3)cn2)cn1.

What is the InChIKey of 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?

The InChIKey is VUELFMSTZBDRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N6O/c1-33-13-14(10-31-33)6-20-29-11-17(12-30-20)15-2-3-16(19(24)7-15)8-22(34)32-21-9-18(4-5-28-21)23(25,26)27/h2-5,7,9-13H,6,8H2,1H3,(H,28,32,34).

What are the key properties of 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?

2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 470.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 161400584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).