2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine

C21H24F3N3O — CID 18001537

IUPAC2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine
SMILESCCc1nc2c(-c3ccc(OC)cc3C(F)(F)F)nccc2n1C(CC)CC
InChIInChI=1S/C21H24F3N3O/c1-5-13(6-2)27-17-10-11-25-19(20(17)26-18(27)7-3)15-9-8-14(28-4)12-16(15)21(22,23)24/h8-13H,5-7H2,1-4H3
InChIKeyYMCRSVQPJXMKEG-UHFFFAOYSA-N
MW391.44 g/mol
LogP6.05
Rot. Bonds6

About 2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine

2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine (PubChem CID 18001537) has the molecular formula C21H24F3N3O and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine
PubChem CID18001537
Molecular FormulaC21H24F3N3O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine
SMILESCCc1nc2c(-c3ccc(OC)cc3C(F)(F)F)nccc2n1C(CC)CC
InChIInChI=1S/C21H24F3N3O/c1-5-13(6-2)27-17-10-11-25-19(20(17)26-18(27)7-3)15-9-8-14(28-4)12-16(15)21(22,23)24/h8-13H,5-7H2,1-4H3
InChIKeyYMCRSVQPJXMKEG-UHFFFAOYSA-N
XLogP6.05
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.44
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(5-fluoro-4-methoxy-2-methylphenyl)-1-pentan-3-ylimidazo[4,5-c]pyridine
CID 18001485
8-ethyl-9-hex-1-en-3-yl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine
CID 18001457
2-ethyl-4-(5-fluoro-4-methoxy-2-methylphenyl)-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
CID 18001399
4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
CID 18001639
1-(1-cyclopropylpropyl)-4-(2,6-dimethoxy-3-pyridinyl)-2-ethylimidazo[4,5-c]pyridine
CID 18001340
4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
CID 18001600
3-ethyl-6-methoxy-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 22249113
4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-pentan-3-ylimidazo[4,5-c]pyridine
CID 18001531
5-(bromomethyl)-2-[4-methoxy-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyridine
CID 86634142
6-[4-chloro-2-(trifluoromethyl)phenyl]-9-(1-cyclopropylethyl)-8-ethylpurine
CID 18001415
4-(2,4-dichlorophenyl)-2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
CID 18001464
4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine
CID 18001490

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine?
The IUPAC name of 2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine (CID 18001537) is 2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine is CCc1nc2c(-c3ccc(OC)cc3C(F)(F)F)nccc2n1C(CC)CC.
What is the InChIKey of 2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine?
The InChIKey is YMCRSVQPJXMKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O/c1-5-13(6-2)27-17-10-11-25-19(20(17)26-18(27)7-3)15-9-8-14(28-4)12-16(15)21(22,23)24/h8-13H,5-7H2,1-4H3.
What are the key properties of 2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine?
2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine has a molecular weight of 391.44 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 18001537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).