4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide

C22H24F3N5O3 — CID 141097265

IUPAC4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide
SMILESCC1=CN(c2ccc(OC(F)(F)F)cc2)CN1Cc1ccncc1C(=O)NN1CCOCC1
InChIInChI=1S/C22H24F3N5O3/c1-16-13-29(18-2-4-19(5-3-18)33-22(23,24)25)15-28(16)14-17-6-7-26-12-20(17)21(31)27-30-8-10-32-11-9-30/h2-7,12-13H,8-11,14-15H2,1H3,(H,27,31)
InChIKeyCTTYFNZKJPIQNU-UHFFFAOYSA-N
MW463.46 g/mol
LogP3.10
Rot. Bonds6

About 4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide

4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 141097265) has the molecular formula C22H24F3N5O3 and a molecular weight of 463.46 g/mol. Its IUPAC name is 4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide
PubChem CID141097265
Molecular FormulaC22H24F3N5O3
Molecular Weight463.46 g/mol
Exact Mass463.18
IUPAC Name4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide
SMILESCC1=CN(c2ccc(OC(F)(F)F)cc2)CN1Cc1ccncc1C(=O)NN1CCOCC1
InChIInChI=1S/C22H24F3N5O3/c1-16-13-29(18-2-4-19(5-3-18)33-22(23,24)25)15-28(16)14-17-6-7-26-12-20(17)21(31)27-30-8-10-32-11-9-30/h2-7,12-13H,8-11,14-15H2,1H3,(H,27,31)
InChIKeyCTTYFNZKJPIQNU-UHFFFAOYSA-N
XLogP3.10
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide
CID 141097158
4-chloro-N-morpholin-4-ylpyridine-3-carboxamide
CID 82841865
3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide
CID 141097511
N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine
CID 141097737
1-benzyl-3-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]urea
CID 141097717
3-hydroxy-N-morpholin-4-ylpyridine-4-carboxamide
CID 80706511
N-morpholin-4-yl-4-(propylamino)pyridine-3-carboxamide
CID 83025351
[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 141097219
2-hydroxy-3-methyl-N-morpholin-4-ylbenzamide
CID 78910153
N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 4998109
2-amino-5-methoxy-N-morpholin-4-ylbenzamide
CID 83012888
4-(2-methoxyethyl)-N-morpholin-4-yl-N-propylpyridine-3-carboxamide
CID 173208094

Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide (CID 141097265) is 4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide is CC1=CN(c2ccc(OC(F)(F)F)cc2)CN1Cc1ccncc1C(=O)NN1CCOCC1.
What is the InChIKey of 4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is CTTYFNZKJPIQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O3/c1-16-13-29(18-2-4-19(5-3-18)33-22(23,24)25)15-28(16)14-17-6-7-26-12-20(17)21(31)27-30-8-10-32-11-9-30/h2-7,12-13H,8-11,14-15H2,1H3,(H,27,31).
What are the key properties of 4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide?
4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 463.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 141097265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).