N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide

C16H16F6N4O2 — CID 90447971

IUPACN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C16H16F6N4O2/c17-15(18,19)8-28-7-6-12(27)25-14-23-10-4-5-11(16(20,21)22)24-13(10)26(14)9-2-1-3-9/h4-5,9H,1-3,6-8H2,(H,23,25,27)
InChIKeyQTGCZQMIMDFSQL-UHFFFAOYSA-N
MW410.32 g/mol
LogP4.08
Rot. Bonds6

About N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 90447971) has the molecular formula C16H16F6N4O2 and a molecular weight of 410.32 g/mol. Its IUPAC name is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID90447971
Molecular FormulaC16H16F6N4O2
Molecular Weight410.32 g/mol
Exact Mass410.12
IUPAC NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C16H16F6N4O2/c17-15(18,19)8-28-7-6-12(27)25-14-23-10-4-5-11(16(20,21)22)24-13(10)26(14)9-2-1-3-9/h4-5,9H,1-3,6-8H2,(H,23,25,27)
InChIKeyQTGCZQMIMDFSQL-UHFFFAOYSA-N
XLogP4.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide 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 N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 90447971) is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1.
What is the InChIKey of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is QTGCZQMIMDFSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F6N4O2/c17-15(18,19)8-28-7-6-12(27)25-14-23-10-4-5-11(16(20,21)22)24-13(10)26(14)9-2-1-3-9/h4-5,9H,1-3,6-8H2,(H,23,25,27).
What are the key properties of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 410.32 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 90447971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).