3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide

C18H17F3N4O — CID 53021801

IUPAC3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCn2c(C(F)(F)F)nc3cccnc32)cc1C
InChIInChI=1S/C18H17F3N4O/c1-11-5-6-13(10-12(11)2)16(26)23-8-9-25-15-14(4-3-7-22-15)24-17(25)18(19,20)21/h3-7,10H,8-9H2,1-2H3,(H,23,26)
InChIKeyCQSUNJDQPGXMAG-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.50
Rot. Bonds4

About 3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide

3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide (PubChem CID 53021801) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
PubChem CID53021801
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCn2c(C(F)(F)F)nc3cccnc32)cc1C
InChIInChI=1S/C18H17F3N4O/c1-11-5-6-13(10-12(11)2)16(26)23-8-9-25-15-14(4-3-7-22-15)24-17(25)18(19,20)21/h3-7,10H,8-9H2,1-2H3,(H,23,26)
InChIKeyCQSUNJDQPGXMAG-UHFFFAOYSA-N
XLogP3.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-3-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53019866
2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 53004120
2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
CID 53021802
3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
CID 53004110
1-(2,4-dimethylphenyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea
CID 46331573
1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53004172
1-(2,3-dimethylphenyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea
CID 46331558
3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
CID 53019815
2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
CID 156599885
1-(4-bromo-3-methylphenyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea
CID 50788170
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53004182
4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid
CID 50742731

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide (CID 53021801) is 3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide is Cc1ccc(C(=O)NCCn2c(C(F)(F)F)nc3cccnc32)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The InChIKey is CQSUNJDQPGXMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c1-11-5-6-13(10-12(11)2)16(26)23-8-9-25-15-14(4-3-7-22-15)24-17(25)18(19,20)21/h3-7,10H,8-9H2,1-2H3,(H,23,26).
What are the key properties of 3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide has a molecular weight of 362.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide is sourced from PubChem (CID 53021801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).