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

C21H23ClF3N3O — CID 18001618

IUPAC7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine
SMILESCCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc2n1C(CC)CCOC
InChIInChI=1S/C21H23ClF3N3O/c1-4-14(9-11-29-3)28-18(5-2)27-19-16(8-10-26-20(19)28)15-7-6-13(12-17(15)22)21(23,24)25/h6-8,10,12,14H,4-5,9,11H2,1-3H3
InChIKeyLAVLZQNQFFTQDT-UHFFFAOYSA-N
MW425.88 g/mol
LogP6.32
Rot. Bonds7

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

7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 18001618) has the molecular formula C21H23ClF3N3O and a molecular weight of 425.88 g/mol. Its IUPAC name is 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine
PubChem CID18001618
Molecular FormulaC21H23ClF3N3O
Molecular Weight425.88 g/mol
Exact Mass425.15
IUPAC Name7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine
SMILESCCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc2n1C(CC)CCOC
InChIInChI=1S/C21H23ClF3N3O/c1-4-14(9-11-29-3)28-18(5-2)27-19-16(8-10-26-20(19)28)15-7-6-13(12-17(15)22)21(23,24)25/h6-8,10,12,14H,4-5,9,11H2,1-3H3
InChIKeyLAVLZQNQFFTQDT-UHFFFAOYSA-N
XLogP6.32
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.88
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine (CID 18001618) is 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine is CCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc2n1C(CC)CCOC.
What is the InChIKey of 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is LAVLZQNQFFTQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF3N3O/c1-4-14(9-11-29-3)28-18(5-2)27-19-16(8-10-26-20(19)28)15-7-6-13(12-17(15)22)21(23,24)25/h6-8,10,12,14H,4-5,9,11H2,1-3H3.
What are the key properties of 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine?
7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 425.88 g/mol, XLogP of 6.32, 7 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-methoxypentan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 18001618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).