2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide

C23H21F3N6O — CID 162573899

IUPAC2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide
SMILESCC1N(CC(=O)Nc2ccc(-c3cccnc3)cn2)C=NC1(C)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C23H21F3N6O/c1-15-22(2,18-7-9-28-19(10-18)23(24,25)26)30-14-32(15)13-21(33)31-20-6-5-17(12-29-20)16-4-3-8-27-11-16/h3-12,14-15H,13H2,1-2H3,(H,29,31,33)
InChIKeyPPUIBMWFOANSBK-UHFFFAOYSA-N
MW454.46 g/mol
LogP4.14
Rot. Bonds5

About 2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide

2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide (PubChem CID 162573899) has the molecular formula C23H21F3N6O and a molecular weight of 454.46 g/mol. Its IUPAC name is 2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide
PubChem CID162573899
Molecular FormulaC23H21F3N6O
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC Name2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide
SMILESCC1N(CC(=O)Nc2ccc(-c3cccnc3)cn2)C=NC1(C)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C23H21F3N6O/c1-15-22(2,18-7-9-28-19(10-18)23(24,25)26)30-14-32(15)13-21(33)31-20-6-5-17(12-29-20)16-4-3-8-27-11-16/h3-12,14-15H,13H2,1-2H3,(H,29,31,33)
InChIKeyPPUIBMWFOANSBK-UHFFFAOYSA-N
XLogP4.14
TPSA83.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide with MolForge

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Related Compounds

1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
CID 72712074
(3Z)-3-methylsulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]hexa-3,5-dienamide
CID 139307897
3-formyl-N,N-dimethyl-4-oxo-1-[2-oxo-2-[(5-pyridin-3-yl-2-pyridinyl)amino]ethyl]pyridine-2-carboxamide
CID 134357274
2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide
CID 138589967
N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]propanamide
CID 118560751
2-imidazol-1-yl-N-(7-pyridin-3-ylquinazolin-2-yl)acetamide
CID 138591075
2-[4-[2-[[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]amino]pyrimidin-5-yl]phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166877119
tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid
CID 155099140
N-(2-methyl-5-pyridin-3-yl-3-pyridinyl)acetamide
CID 176579518
N-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine-3-carboxamide
CID 157371621
N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide
CID 138674390
2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 58447787

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide (CID 162573899) is 2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide is CC1N(CC(=O)Nc2ccc(-c3cccnc3)cn2)C=NC1(C)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide?
The InChIKey is PPUIBMWFOANSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O/c1-15-22(2,18-7-9-28-19(10-18)23(24,25)26)30-14-32(15)13-21(33)31-20-6-5-17(12-29-20)16-4-3-8-27-11-16/h3-12,14-15H,13H2,1-2H3,(H,29,31,33).
What are the key properties of 2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide?
2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide has a molecular weight of 454.46 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-4H-imidazol-3-yl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 162573899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).