6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine

C18H12ClF3N6O — CID 118095001

IUPAC6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
SMILESCc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C18H12ClF3N6O/c1-10-25-17-14(6-11(19)7-24-17)28(10)16-9-23-8-15(27-16)26-12-2-4-13(5-3-12)29-18(20,21)22/h2-9H,1H3,(H,26,27)
InChIKeyDJEUODRTZDXTEV-UHFFFAOYSA-N
MW420.78 g/mol
LogP4.81
Rot. Bonds4

About 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine

6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine (PubChem CID 118095001) has the molecular formula C18H12ClF3N6O and a molecular weight of 420.78 g/mol. Its IUPAC name is 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
PubChem CID118095001
Molecular FormulaC18H12ClF3N6O
Molecular Weight420.78 g/mol
Exact Mass420.07
IUPAC Name6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
SMILESCc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C18H12ClF3N6O/c1-10-25-17-14(6-11(19)7-24-17)28(10)16-9-23-8-15(27-16)26-12-2-4-13(5-3-12)29-18(20,21)22/h2-9H,1H3,(H,26,27)
InChIKeyDJEUODRTZDXTEV-UHFFFAOYSA-N
XLogP4.81
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.78
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine 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 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The IUPAC name of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine (CID 118095001) is 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine is Cc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The InChIKey is DJEUODRTZDXTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N6O/c1-10-25-17-14(6-11(19)7-24-17)28(10)16-9-23-8-15(27-16)26-12-2-4-13(5-3-12)29-18(20,21)22/h2-9H,1H3,(H,26,27).
What are the key properties of 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine has a molecular weight of 420.78 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine is sourced from PubChem (CID 118095001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).