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

C30H28N8O — CID 138707097

IUPAC2-ethyl-3-[[4-[5-(2-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(-c3cccnc3OC)ccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C30H28N8O/c1-5-26-33-27-18(2)15-19(3)32-29(27)38(26)17-20-8-10-21(11-9-20)25-16-22(23-7-6-14-31-30(23)39-4)12-13-24(25)28-34-36-37-35-28/h6-16H,5,17H2,1-4H3,(H,34,35,36,37)
InChIKeyIBWSSKMYNBGMOR-UHFFFAOYSA-N
MW516.61 g/mol
LogP5.58
Rot. Bonds7

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

2-ethyl-3-[[4-[5-(2-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine (PubChem CID 138707097) has the molecular formula C30H28N8O and a molecular weight of 516.61 g/mol. Its IUPAC name is 2-ethyl-3-[[4-[5-(2-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-3-[[4-[5-(2-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
PubChem CID138707097
Molecular FormulaC30H28N8O
Molecular Weight516.61 g/mol
Exact Mass516.24
IUPAC Name2-ethyl-3-[[4-[5-(2-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(-c3cccnc3OC)ccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C30H28N8O/c1-5-26-33-27-18(2)15-19(3)32-29(27)38(26)17-20-8-10-21(11-9-20)25-16-22(23-7-6-14-31-30(23)39-4)12-13-24(25)28-34-36-37-35-28/h6-16H,5,17H2,1-4H3,(H,34,35,36,37)
InChIKeyIBWSSKMYNBGMOR-UHFFFAOYSA-N
XLogP5.58
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.61
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-ethyl-5,7-dimethyl-3-[[4-[5-pyridin-3-yl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 138743488
2-ethyl-5,7-dimethyl-3-[[4-[5-(6-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 138743972
2-ethyl-7-methoxy-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154480338
2-ethyl-3-[[4-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
CID 154422399
2-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenoxy]pyridin-4-amine
CID 138744288
5-chloro-2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418052
4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 138743833
3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
CID 138707098
3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(2-methoxy-3-pyridinyl)thiophene-2-sulfonamide
CID 138707114
2-ethoxy-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15288822
2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine
CID 154422383
3-[[4-[5-(3,3-difluoropiperidin-1-yl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
CID 138744400

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[[4-[5-(2-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-3-[[4-[5-(2-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine (CID 138707097) is 2-ethyl-3-[[4-[5-(2-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-3-[[4-[5-(2-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-3-[[4-[5-(2-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(-c3cccnc3OC)ccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-ethyl-3-[[4-[5-(2-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine?
The InChIKey is IBWSSKMYNBGMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N8O/c1-5-26-33-27-18(2)15-19(3)32-29(27)38(26)17-20-8-10-21(11-9-20)25-16-22(23-7-6-14-31-30(23)39-4)12-13-24(25)28-34-36-37-35-28/h6-16H,5,17H2,1-4H3,(H,34,35,36,37).
What are the key properties of 2-ethyl-3-[[4-[5-(2-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine?
2-ethyl-3-[[4-[5-(2-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine has a molecular weight of 516.61 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[[4-[5-(2-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 138707097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).