N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide

C28H28F3N5O — CID 175626041

IUPACN-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide
SMILESC[C@@H](CNCC(C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H28F3N5O/c1-19(20-8-11-24(12-9-20)28(29,30)31)14-32-17-25(21-6-4-3-5-7-21)27(37)35-26-13-10-22(15-33-26)23-16-34-36(2)18-23/h3-13,15-16,18-19,25,32H,14,17H2,1-2H3,(H,33,35,37)/t19-,25?/m0/s1
InChIKeyHFHFAVKTTCFJKL-UBDBMELISA-N
MW507.56 g/mol
LogP5.62
Rot. Bonds9

About N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide

N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide (PubChem CID 175626041) has the molecular formula C28H28F3N5O and a molecular weight of 507.56 g/mol. Its IUPAC name is N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide.

Molecular Properties

Compound NameN-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide
PubChem CID175626041
Molecular FormulaC28H28F3N5O
Molecular Weight507.56 g/mol
Exact Mass507.22
IUPAC NameN-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide
SMILESC[C@@H](CNCC(C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H28F3N5O/c1-19(20-8-11-24(12-9-20)28(29,30)31)14-32-17-25(21-6-4-3-5-7-21)27(37)35-26-13-10-22(15-33-26)23-16-34-36(2)18-23/h3-13,15-16,18-19,25,32H,14,17H2,1-2H3,(H,33,35,37)/t19-,25?/m0/s1
InChIKeyHFHFAVKTTCFJKL-UBDBMELISA-N
XLogP5.62
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.56
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2R)-2-(4-cyanophenyl)-3,3,3-trifluoropropyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylpropanamide
CID 139426148
3-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylpropanamide
CID 175625191
(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 157190906
3-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylpropanamide
CID 139426138
3-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylpropanamide
CID 139426223
3-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylpropanamide
CID 139426172
3-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyltriazol-4-yl)-2-pyridinyl]-2-phenylpropanamide
CID 139426045
3-[2-(4-cyanopyrazol-1-yl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylpropanamide
CID 139426075
3-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]propanamide
CID 139425924
(2S)-2-[[(2S)-2-(2-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 157442940
(2R)-N-(5-iodo-2-pyridinyl)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide
CID 178178544
(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide
CID 167706593

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide?
The IUPAC name of N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide (CID 175626041) is N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide.
What is the SMILES notation for N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide?
The canonical SMILES for N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide is C[C@@H](CNCC(C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide?
The InChIKey is HFHFAVKTTCFJKL-UBDBMELISA-N. The full InChI is InChI=1S/C28H28F3N5O/c1-19(20-8-11-24(12-9-20)28(29,30)31)14-32-17-25(21-6-4-3-5-7-21)27(37)35-26-13-10-22(15-33-26)23-16-34-36(2)18-23/h3-13,15-16,18-19,25,32H,14,17H2,1-2H3,(H,33,35,37)/t19-,25?/m0/s1.
What are the key properties of N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide?
N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide has a molecular weight of 507.56 g/mol, XLogP of 5.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide is sourced from PubChem (CID 175626041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).