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

C22H21N7O — CID 19802452

IUPAC2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccoc2-c2nn[nH]n2)cc1
InChIInChI=1S/C22H21N7O/c1-4-18-24-19-13(2)11-14(3)23-22(19)29(18)12-15-5-7-16(8-6-15)17-9-10-30-20(17)21-25-27-28-26-21/h5-11H,4,12H2,1-3H3,(H,25,26,27,28)
InChIKeyUWWOPANPOCZKKA-UHFFFAOYSA-N
MW399.46 g/mol
LogP4.10
Rot. Bonds5

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

2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine (PubChem CID 19802452) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine
PubChem CID19802452
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccoc2-c2nn[nH]n2)cc1
InChIInChI=1S/C22H21N7O/c1-4-18-24-19-13(2)11-14(3)23-22(19)29(18)12-15-5-7-16(8-6-15)17-9-10-30-20(17)21-25-27-28-26-21/h5-11H,4,12H2,1-3H3,(H,25,26,27,28)
InChIKeyUWWOPANPOCZKKA-UHFFFAOYSA-N
XLogP4.10
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 54.10
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-[2-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine (CID 19802452) is 2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccoc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is UWWOPANPOCZKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-4-18-24-19-13(2)11-14(3)23-22(19)29(18)12-15-5-7-16(8-6-15)17-9-10-30-20(17)21-25-27-28-26-21/h5-11H,4,12H2,1-3H3,(H,25,26,27,28).
What are the key properties of 2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine?
2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 399.46 g/mol, XLogP of 4.10, 5 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-[2-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 19802452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).