N-ethyl-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide

C23H19F3N4O3 — CID 11271023

IUPACN-ethyl-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCNC(=O)c1cnc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C23H19F3N4O3/c1-2-27-22(31)16-10-20-21(28-12-16)30(14-29-20)17-4-3-5-19(11-17)32-13-15-6-8-18(9-7-15)33-23(24,25)26/h3-12,14H,2,13H2,1H3,(H,27,31)
InChIKeyIKNGZDHTEOKPND-UHFFFAOYSA-N
MW456.42 g/mol
LogP4.65
Rot. Bonds7

About N-ethyl-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide

N-ethyl-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 11271023) has the molecular formula C23H19F3N4O3 and a molecular weight of 456.42 g/mol. Its IUPAC name is N-ethyl-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID11271023
Molecular FormulaC23H19F3N4O3
Molecular Weight456.42 g/mol
Exact Mass456.14
IUPAC NameN-ethyl-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCNC(=O)c1cnc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C23H19F3N4O3/c1-2-27-22(31)16-10-20-21(28-12-16)30(14-29-20)17-4-3-5-19(11-17)32-13-15-6-8-18(9-7-15)33-23(24,25)26/h3-12,14H,2,13H2,1H3,(H,27,31)
InChIKeyIKNGZDHTEOKPND-UHFFFAOYSA-N
XLogP4.65
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-ethyl-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 11271023) is N-ethyl-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-ethyl-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-ethyl-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide is CCNC(=O)c1cnc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of N-ethyl-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is IKNGZDHTEOKPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3/c1-2-27-22(31)16-10-20-21(28-12-16)30(14-29-20)17-4-3-5-19(11-17)32-13-15-6-8-18(9-7-15)33-23(24,25)26/h3-12,14H,2,13H2,1H3,(H,27,31).
What are the key properties of N-ethyl-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
N-ethyl-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 456.42 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 11271023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).