2-ethyl-5,7-dimethyl-3-[[4-[phenyl(2H-tetrazol-5-yl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine

C25H25N7O — CID 22407473

IUPAC2-ethyl-5,7-dimethyl-3-[[4-[phenyl(2H-tetrazol-5-yl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(OC(c2ccccc2)c2nn[nH]n2)cc1
InChIInChI=1S/C25H25N7O/c1-4-21-27-22-16(2)14-17(3)26-25(22)32(21)15-18-10-12-20(13-11-18)33-23(24-28-30-31-29-24)19-8-6-5-7-9-19/h5-14,23H,4,15H2,1-3H3,(H,28,29,30,31)
InChIKeyXHRJDKRKFBVBBB-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.34
Rot. Bonds7

About 2-ethyl-5,7-dimethyl-3-[[4-[phenyl(2H-tetrazol-5-yl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine

2-ethyl-5,7-dimethyl-3-[[4-[phenyl(2H-tetrazol-5-yl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine (PubChem CID 22407473) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-3-[[4-[phenyl(2H-tetrazol-5-yl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-5,7-dimethyl-3-[[4-[phenyl(2H-tetrazol-5-yl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine
PubChem CID22407473
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name2-ethyl-5,7-dimethyl-3-[[4-[phenyl(2H-tetrazol-5-yl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(OC(c2ccccc2)c2nn[nH]n2)cc1
InChIInChI=1S/C25H25N7O/c1-4-21-27-22-16(2)14-17(3)26-25(22)32(21)15-18-10-12-20(13-11-18)33-23(24-28-30-31-29-24)19-8-6-5-7-9-19/h5-14,23H,4,15H2,1-3H3,(H,28,29,30,31)
InChIKeyXHRJDKRKFBVBBB-UHFFFAOYSA-N
XLogP4.34
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dimethyl-3-[[4-[phenyl(2H-tetrazol-5-yl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-5,7-dimethyl-3-[[4-[phenyl(2H-tetrazol-5-yl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine (CID 22407473) is 2-ethyl-5,7-dimethyl-3-[[4-[phenyl(2H-tetrazol-5-yl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-5,7-dimethyl-3-[[4-[phenyl(2H-tetrazol-5-yl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-5,7-dimethyl-3-[[4-[phenyl(2H-tetrazol-5-yl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(OC(c2ccccc2)c2nn[nH]n2)cc1.
What is the InChIKey of 2-ethyl-5,7-dimethyl-3-[[4-[phenyl(2H-tetrazol-5-yl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is XHRJDKRKFBVBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-4-21-27-22-16(2)14-17(3)26-25(22)32(21)15-18-10-12-20(13-11-18)33-23(24-28-30-31-29-24)19-8-6-5-7-9-19/h5-14,23H,4,15H2,1-3H3,(H,28,29,30,31).
What are the key properties of 2-ethyl-5,7-dimethyl-3-[[4-[phenyl(2H-tetrazol-5-yl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine?
2-ethyl-5,7-dimethyl-3-[[4-[phenyl(2H-tetrazol-5-yl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 439.52 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,7-dimethyl-3-[[4-[phenyl(2H-tetrazol-5-yl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 22407473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).