3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine

C19H14F3N5O2 — CID 53251452

IUPAC3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(-c3ccccn3)nc3cc(OCC(F)(F)F)cnc32)cn1
InChIInChI=1S/C19H14F3N5O2/c1-28-16-6-5-12(9-24-16)27-17-15(26-18(27)14-4-2-3-7-23-14)8-13(10-25-17)29-11-19(20,21)22/h2-10H,11H2,1H3
InChIKeyLWHJCOBSUURCPN-UHFFFAOYSA-N
MW401.35 g/mol
LogP3.83
Rot. Bonds5

About 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine

3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine (PubChem CID 53251452) has the molecular formula C19H14F3N5O2 and a molecular weight of 401.35 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine
PubChem CID53251452
Molecular FormulaC19H14F3N5O2
Molecular Weight401.35 g/mol
Exact Mass401.11
IUPAC Name3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(-c3ccccn3)nc3cc(OCC(F)(F)F)cnc32)cn1
InChIInChI=1S/C19H14F3N5O2/c1-28-16-6-5-12(9-24-16)27-17-15(26-18(27)14-4-2-3-7-23-14)8-13(10-25-17)29-11-19(20,21)22/h2-10H,11H2,1H3
InChIKeyLWHJCOBSUURCPN-UHFFFAOYSA-N
XLogP3.83
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine (CID 53251452) is 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine is COc1ccc(-n2c(-c3ccccn3)nc3cc(OCC(F)(F)F)cnc32)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine?
The InChIKey is LWHJCOBSUURCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2/c1-28-16-6-5-12(9-24-16)27-17-15(26-18(27)14-4-2-3-7-23-14)8-13(10-25-17)29-11-19(20,21)22/h2-10H,11H2,1H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine?
3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine has a molecular weight of 401.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine is sourced from PubChem (CID 53251452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).