methane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine

C22H24N4O2 — CID 157077401

IUPACmethane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESC.CC(C)Oc1cc(OCc2ccncc2)cc(-c2nc3ncccc3[nH]2)c1
InChIInChI=1S/C21H20N4O2.CH4/c1-14(2)27-18-11-16(20-24-19-4-3-7-23-21(19)25-20)10-17(12-18)26-13-15-5-8-22-9-6-15;/h3-12,14H,13H2,1-2H3,(H,23,24,25);1H4
InChIKeyADDBKCIFGDCUHT-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.02
Rot. Bonds6

About methane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine

methane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 157077401) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is methane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Namemethane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID157077401
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Namemethane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESC.CC(C)Oc1cc(OCc2ccncc2)cc(-c2nc3ncccc3[nH]2)c1
InChIInChI=1S/C21H20N4O2.CH4/c1-14(2)27-18-11-16(20-24-19-4-3-7-23-21(19)25-20)10-17(12-18)26-13-15-5-8-22-9-6-15;/h3-12,14H,13H2,1-2H3,(H,23,24,25);1H4
InChIKeyADDBKCIFGDCUHT-UHFFFAOYSA-N
XLogP5.02
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of methane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine (CID 157077401) is methane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for methane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for methane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine is C.CC(C)Oc1cc(OCc2ccncc2)cc(-c2nc3ncccc3[nH]2)c1.
What is the InChIKey of methane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is ADDBKCIFGDCUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2.CH4/c1-14(2)27-18-11-16(20-24-19-4-3-7-23-21(19)25-20)10-17(12-18)26-13-15-5-8-22-9-6-15;/h3-12,14H,13H2,1-2H3,(H,23,24,25);1H4.
What are the key properties of methane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine?
methane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 376.46 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 157077401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).