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

C30H28N8 — CID 138743972

IUPAC2-ethyl-5,7-dimethyl-3-[[4-[5-(6-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(-c3cccc(C)n3)ccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C30H28N8/c1-5-27-33-28-18(2)15-20(4)32-30(28)38(27)17-21-9-11-22(12-10-21)25-16-23(26-8-6-7-19(3)31-26)13-14-24(25)29-34-36-37-35-29/h6-16H,5,17H2,1-4H3,(H,34,35,36,37)
InChIKeyPBXYCZHHMFQLPH-UHFFFAOYSA-N
MW500.61 g/mol
LogP5.88
Rot. Bonds6

About 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

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 (PubChem CID 138743972) has the molecular formula C30H28N8 and a molecular weight of 500.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-ethyl-5,7-dimethyl-3-[[4-[5-(6-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
PubChem CID138743972
Molecular FormulaC30H28N8
Molecular Weight500.61 g/mol
Exact Mass500.24
IUPAC Name2-ethyl-5,7-dimethyl-3-[[4-[5-(6-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(-c3cccc(C)n3)ccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C30H28N8/c1-5-27-33-28-18(2)15-20(4)32-30(28)38(27)17-21-9-11-22(12-10-21)25-16-23(26-8-6-7-19(3)31-26)13-14-24(25)29-34-36-37-35-29/h6-16H,5,17H2,1-4H3,(H,34,35,36,37)
InChIKeyPBXYCZHHMFQLPH-UHFFFAOYSA-N
XLogP5.88
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.61
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-3-[[4-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
CID 154422399
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
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
5-chloro-2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418052
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
2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine
CID 154422383
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-7-methoxy-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154480338
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
2-ethoxy-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15288822

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(-c3cccc(C)n3)ccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 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?
The InChIKey is PBXYCZHHMFQLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N8/c1-5-27-33-28-18(2)15-20(4)32-30(28)38(27)17-21-9-11-22(12-10-21)25-16-23(26-8-6-7-19(3)31-26)13-14-24(25)29-34-36-37-35-29/h6-16H,5,17H2,1-4H3,(H,34,35,36,37).
What are the key properties of 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?
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 has a molecular weight of 500.61 g/mol, XLogP of 5.88, 6 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-[5-(6-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 138743972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).