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

C31H29N7O — CID 138707080

IUPAC2-ethyl-5,7-dimethyl-3-[[4-[3-methyl-5-phenoxy-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(Oc3ccccc3)cc(C)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C31H29N7O/c1-5-27-33-29-20(3)15-21(4)32-31(29)38(27)18-22-11-13-23(14-12-22)26-17-25(39-24-9-7-6-8-10-24)16-19(2)28(26)30-34-36-37-35-30/h6-17H,5,18H2,1-4H3,(H,34,35,36,37)
InChIKeyRBLXDFGWBIHQRW-UHFFFAOYSA-N
MW515.62 g/mol
LogP6.61
Rot. Bonds7

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

2-ethyl-5,7-dimethyl-3-[[4-[3-methyl-5-phenoxy-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine (PubChem CID 138707080) has the molecular formula C31H29N7O and a molecular weight of 515.62 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-3-[[4-[3-methyl-5-phenoxy-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-5,7-dimethyl-3-[[4-[3-methyl-5-phenoxy-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
PubChem CID138707080
Molecular FormulaC31H29N7O
Molecular Weight515.62 g/mol
Exact Mass515.24
IUPAC Name2-ethyl-5,7-dimethyl-3-[[4-[3-methyl-5-phenoxy-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(Oc3ccccc3)cc(C)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C31H29N7O/c1-5-27-33-29-20(3)15-21(4)32-31(29)38(27)18-22-11-13-23(14-12-22)26-17-25(39-24-9-7-6-8-10-24)16-19(2)28(26)30-34-36-37-35-30/h6-17H,5,18H2,1-4H3,(H,34,35,36,37)
InChIKeyRBLXDFGWBIHQRW-UHFFFAOYSA-N
XLogP6.61
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.62
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
5-chloro-2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418052
2-ethyl-7-methoxy-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154480338
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
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
3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
CID 138707098
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
5,7-dimethyl-2-propoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22067356

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dimethyl-3-[[4-[3-methyl-5-phenoxy-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-5,7-dimethyl-3-[[4-[3-methyl-5-phenoxy-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine (CID 138707080) is 2-ethyl-5,7-dimethyl-3-[[4-[3-methyl-5-phenoxy-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-5,7-dimethyl-3-[[4-[3-methyl-5-phenoxy-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-5,7-dimethyl-3-[[4-[3-methyl-5-phenoxy-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(Oc3ccccc3)cc(C)c2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-ethyl-5,7-dimethyl-3-[[4-[3-methyl-5-phenoxy-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is RBLXDFGWBIHQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N7O/c1-5-27-33-29-20(3)15-21(4)32-31(29)38(27)18-22-11-13-23(14-12-22)26-17-25(39-24-9-7-6-8-10-24)16-19(2)28(26)30-34-36-37-35-30/h6-17H,5,18H2,1-4H3,(H,34,35,36,37).
What are the key properties of 2-ethyl-5,7-dimethyl-3-[[4-[3-methyl-5-phenoxy-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine?
2-ethyl-5,7-dimethyl-3-[[4-[3-methyl-5-phenoxy-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 515.62 g/mol, XLogP of 6.61, 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-[3-methyl-5-phenoxy-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 138707080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).