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

C20H17N7S — CID 139608427

IUPAC2-ethyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2cccnc2n1Cc1ccc(-c2cscc2-c2nn[nH]n2)cc1
InChIInChI=1S/C20H17N7S/c1-2-18-22-17-4-3-9-21-20(17)27(18)10-13-5-7-14(8-6-13)15-11-28-12-16(15)19-23-25-26-24-19/h3-9,11-12H,2,10H2,1H3,(H,23,24,25,26)
InChIKeyVWIQRSYUKGWVNO-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.95
Rot. Bonds5

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

2-ethyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine (PubChem CID 139608427) has the molecular formula C20H17N7S and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-ethyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine
PubChem CID139608427
Molecular FormulaC20H17N7S
Molecular Weight387.47 g/mol
Exact Mass387.13
IUPAC Name2-ethyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2cccnc2n1Cc1ccc(-c2cscc2-c2nn[nH]n2)cc1
InChIInChI=1S/C20H17N7S/c1-2-18-22-17-4-3-9-21-20(17)27(18)10-13-5-7-14(8-6-13)15-11-28-12-16(15)19-23-25-26-24-19/h3-9,11-12H,2,10H2,1H3,(H,23,24,25,26)
InChIKeyVWIQRSYUKGWVNO-UHFFFAOYSA-N
XLogP3.95
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine with MolForge

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Related Compounds

2-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 67942959
2-ethyl-7-methyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
CID 19802471
2-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 67943976
2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19889371
5-chloro-2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418052
2,7-diethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine
CID 67741029
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
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-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-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418019
7-(4-methylphenyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154422744
[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol
CID 10852829

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine (CID 139608427) is 2-ethyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine is CCc1nc2cccnc2n1Cc1ccc(-c2cscc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-ethyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is VWIQRSYUKGWVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7S/c1-2-18-22-17-4-3-9-21-20(17)27(18)10-13-5-7-14(8-6-13)15-11-28-12-16(15)19-23-25-26-24-19/h3-9,11-12H,2,10H2,1H3,(H,23,24,25,26).
What are the key properties of 2-ethyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine?
2-ethyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 387.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 139608427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).