methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide

C81H105F9N18O3 — CID 158355070

About methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide

methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide (PubChem CID 158355070) has the molecular formula C81H105F9N18O3 and a molecular weight of 1549.84 g/mol. Its IUPAC name is methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide.

Molecular Properties

• Compound Name: methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
• PubChem CID: 158355070
• Molecular Formula: C81H105F9N18O3
• Molecular Weight: 1549.84 g/mol
• Exact Mass: 1548.85
• IUPAC Name: methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
• SMILES: C.C.C.CC(C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C3CCN(C)CC3)c2)ncc1C(F)(F)F.C[C@@H](C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C3CCN(C)CC3)c2)ncc1C(F)(F)F.C[C@H](C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C3CCN(C)CC3)c2)ncc1C(F)(F)F
• InChI: InChI=1S/3C26H31F3N6O.3CH4/c3*1-17(25(30)36)21-6-4-3-5-19(21)7-8-23-22(26(27,28)29)15-31-24(33-23)13-18-14-32-35(16-18)20-9-11-34(2)12-10-20;;;/h3*3-6,14-17,20H,7-13H2,1-2H3,(H2,30,36);3*1H4/t2*17-;;;;/m10..../s1
• InChIKey: GSTUHZDEBFHNNS-BYQNJDFCSA-N
• XLogP: 13.68
• TPSA: 269.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1549.84
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?

The IUPAC name of methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide (CID 158355070) is methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide.

What is the SMILES notation for methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?

The canonical SMILES for methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide is C.C.C.CC(C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C3CCN(C)CC3)c2)ncc1C(F)(F)F.C[C@@H](C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C3CCN(C)CC3)c2)ncc1C(F)(F)F.C[C@H](C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C3CCN(C)CC3)c2)ncc1C(F)(F)F.

What is the InChIKey of methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?

The InChIKey is GSTUHZDEBFHNNS-BYQNJDFCSA-N. The full InChI is InChI=1S/3C26H31F3N6O.3CH4/c3*1-17(25(30)36)21-6-4-3-5-19(21)7-8-23-22(26(27,28)29)15-31-24(33-23)13-18-14-32-35(16-18)20-9-11-34(2)12-10-20;;;/h3*3-6,14-17,20H,7-13H2,1-2H3,(H2,30,36);3*1H4/t2*17-;;;;/m10..../s1.

What are the key properties of methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?

methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide has a molecular weight of 1549.84 g/mol, XLogP of 13.68, 24 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide is sourced from PubChem (CID 158355070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).