7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine

C20H21ClF3N3O — CID 18001577

IUPAC7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine
SMILESCCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc2n1C(CC)COC
InChIInChI=1S/C20H21ClF3N3O/c1-4-13(11-28-3)27-17(5-2)26-18-15(8-9-25-19(18)27)14-7-6-12(10-16(14)21)20(22,23)24/h6-10,13H,4-5,11H2,1-3H3
InChIKeyTUNSQAQKXUSTEG-UHFFFAOYSA-N
MW411.86 g/mol
LogP5.93
Rot. Bonds6

About 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine

7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 18001577) has the molecular formula C20H21ClF3N3O and a molecular weight of 411.86 g/mol. Its IUPAC name is 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine
PubChem CID18001577
Molecular FormulaC20H21ClF3N3O
Molecular Weight411.86 g/mol
Exact Mass411.13
IUPAC Name7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine
SMILESCCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc2n1C(CC)COC
InChIInChI=1S/C20H21ClF3N3O/c1-4-13(11-28-3)27-17(5-2)26-18-15(8-9-25-19(18)27)14-7-6-12(10-16(14)21)20(22,23)24/h6-10,13H,4-5,11H2,1-3H3
InChIKeyTUNSQAQKXUSTEG-UHFFFAOYSA-N
XLogP5.93
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.86
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine with MolForge

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Related Compounds

7-(2,4-Dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 18001593
2-Ethyl-3-(1-ethyl-3-methoxypropyl)-7-[2-chloro-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridine
CID 18001618
1-[3-Chloro-4-(2-ethyl-3-pentan-2-ylimidazo[4,5-b]pyridin-7-yl)phenyl]ethanone
CID 44458832
3-(1-Cyclobutylethyl)-7-(2,4-dichlorophenyl)-2-ethylimidazo[4,5-b]pyridine
CID 44458924
3-[(1R)-1-cyclopropylpropyl]-7-(2,4-dichlorophenyl)-2-ethylimidazo[4,5-b]pyridine
CID 44458973
3-[(1S)-1-cyclopropylpropyl]-7-(2,4-dichlorophenyl)-2-ethylimidazo[4,5-b]pyridine
CID 44458974
7-(2,4-Dichlorophenyl)-2-ethyl-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 44459007
3-[(1R)-1-cyclopropylethyl]-7-(2,4-dichlorophenyl)-2-ethylimidazo[4,5-b]pyridine
CID 76313469
8-Chloro-2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 2725829
6-Chloro-2-(4-chlorophenyl)-3-(morpholinomethyl)imidazo[1,2-a]pyridine
CID 3802200
2-[[4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl]methyl]-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine
CID 9828521
6-[2-Chloro-4-(trifluoromethyl)phenyl]-9-(dicyclopropylmethyl)-8-ethylpurine
CID 10319984

Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine (CID 18001577) is 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine is CCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc2n1C(CC)COC.
What is the InChIKey of 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is TUNSQAQKXUSTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O/c1-4-13(11-28-3)27-17(5-2)26-18-15(8-9-25-19(18)27)14-7-6-12(10-16(14)21)20(22,23)24/h6-10,13H,4-5,11H2,1-3H3.
What are the key properties of 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine?
7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 411.86 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 18001577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).