[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone

C25H27F3N4O — CID 148575708

About [5-methyl-2-(1H-pyrazol-5-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone

[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone (PubChem CID 148575708) has the molecular formula C25H27F3N4O and a molecular weight of 456.51 g/mol. Its IUPAC name is [5-methyl-2-(1H-pyrazol-5-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-methyl-2-(1H-pyrazol-5-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
• PubChem CID: 148575708
• Molecular Formula: C25H27F3N4O
• Molecular Weight: 456.51 g/mol
• Exact Mass: 456.21
• IUPAC Name: [5-methyl-2-(1H-pyrazol-5-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
• SMILES: Cc1ccc(-c2ccn[nH]2)c(C(=O)N2CCC[C@@H](C)[C@H]2CCc2ccc(C(F)(F)F)cn2)c1
• InChI: InChI=1S/C25H27F3N4O/c1-16-5-9-20(22-11-12-30-31-22)21(14-16)24(33)32-13-3-4-17(2)23(32)10-8-19-7-6-18(15-29-19)25(26,27)28/h5-7,9,11-12,14-15,17,23H,3-4,8,10,13H2,1-2H3,(H,30,31)/t17-,23-/m1/s1
• InChIKey: MXTCEASLJVDJFA-UZUQRXQVSA-N
• XLogP: 5.67
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.51
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(1H-pyrazol-5-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone?

The IUPAC name of [5-methyl-2-(1H-pyrazol-5-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone (CID 148575708) is [5-methyl-2-(1H-pyrazol-5-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone.

What is the SMILES notation for [5-methyl-2-(1H-pyrazol-5-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone?

The canonical SMILES for [5-methyl-2-(1H-pyrazol-5-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone is Cc1ccc(-c2ccn[nH]2)c(C(=O)N2CCC[C@@H](C)[C@H]2CCc2ccc(C(F)(F)F)cn2)c1.

What is the InChIKey of [5-methyl-2-(1H-pyrazol-5-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone?

The InChIKey is MXTCEASLJVDJFA-UZUQRXQVSA-N. The full InChI is InChI=1S/C25H27F3N4O/c1-16-5-9-20(22-11-12-30-31-22)21(14-16)24(33)32-13-3-4-17(2)23(32)10-8-19-7-6-18(15-29-19)25(26,27)28/h5-7,9,11-12,14-15,17,23H,3-4,8,10,13H2,1-2H3,(H,30,31)/t17-,23-/m1/s1.

What are the key properties of [5-methyl-2-(1H-pyrazol-5-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone?

[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 456.51 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [5-methyl-2-(1H-pyrazol-5-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 148575708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).