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

C78H99F9N18O3 — CID 157470178

IUPACmethane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESC.C.C.CC(C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C3CCNCC3)c2)ncc1C(F)(F)F.C[C@@H](C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C3CCNCC3)c2)ncc1C(F)(F)F.C[C@H](C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C3CCNCC3)c2)ncc1C(F)(F)F
InChIInChI=1S/3C25H29F3N6O.3CH4/c3*1-16(24(29)35)20-5-3-2-4-18(20)6-7-22-21(25(26,27)28)14-31-23(33-22)12-17-13-32-34(15-17)19-8-10-30-11-9-19;;;/h3*2-5,13-16,19,30H,6-12H2,1H3,(H2,29,35);3*1H4/t2*16-;;;;/m10..../s1
InChIKeyBUYCWSGTXWMYJH-GVPLZXMQSA-N
MW1507.75 g/mol
LogP12.65
Rot. Bonds24

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

methane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide (PubChem CID 157470178) has the molecular formula C78H99F9N18O3 and a molecular weight of 1507.75 g/mol. Its IUPAC name is methane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide.

Molecular Properties

Compound Namemethane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
PubChem CID157470178
Molecular FormulaC78H99F9N18O3
Molecular Weight1507.75 g/mol
Exact Mass1506.80
IUPAC Namemethane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESC.C.C.CC(C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C3CCNCC3)c2)ncc1C(F)(F)F.C[C@@H](C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C3CCNCC3)c2)ncc1C(F)(F)F.C[C@H](C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C3CCNCC3)c2)ncc1C(F)(F)F
InChIInChI=1S/3C25H29F3N6O.3CH4/c3*1-16(24(29)35)20-5-3-2-4-18(20)6-7-22-21(25(26,27)28)14-31-23(33-22)12-17-13-32-34(15-17)19-8-10-30-11-9-19;;;/h3*2-5,13-16,19,30H,6-12H2,1H3,(H2,29,35);3*1H4/t2*16-;;;;/m10..../s1
InChIKeyBUYCWSGTXWMYJH-GVPLZXMQSA-N
XLogP12.65
TPSA296.16 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001507.75
LogP ≤ 512.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze methane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The IUPAC name of methane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide (CID 157470178) is methane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide.
What is the SMILES notation for methane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The canonical SMILES for methane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide is C.C.C.CC(C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C3CCNCC3)c2)ncc1C(F)(F)F.C[C@@H](C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C3CCNCC3)c2)ncc1C(F)(F)F.C[C@H](C(N)=O)c1ccccc1CCc1nc(Cc2cnn(C3CCNCC3)c2)ncc1C(F)(F)F.
What is the InChIKey of methane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The InChIKey is BUYCWSGTXWMYJH-GVPLZXMQSA-N. The full InChI is InChI=1S/3C25H29F3N6O.3CH4/c3*1-16(24(29)35)20-5-3-2-4-18(20)6-7-22-21(25(26,27)28)14-31-23(33-22)12-17-13-32-34(15-17)19-8-10-30-11-9-19;;;/h3*2-5,13-16,19,30H,6-12H2,1H3,(H2,29,35);3*1H4/t2*16-;;;;/m10..../s1.
What are the key properties of methane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?
methane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide has a molecular weight of 1507.75 g/mol, XLogP of 12.65, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2R)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;(2S)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide is sourced from PubChem (CID 157470178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).