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

C22H21N7S — CID 19802473

IUPAC2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccsc2-c2nn[nH]n2)cc1
InChIInChI=1S/C22H21N7S/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)
InChIKeyXPAQGRYPYVGJTN-UHFFFAOYSA-N
MW415.53 g/mol
LogP4.57
Rot. Bonds5

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

2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine (PubChem CID 19802473) has the molecular formula C22H21N7S and a molecular weight of 415.53 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine
PubChem CID19802473
Molecular FormulaC22H21N7S
Molecular Weight415.53 g/mol
Exact Mass415.16
IUPAC Name2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccsc2-c2nn[nH]n2)cc1
InChIInChI=1S/C22H21N7S/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)
InChIKeyXPAQGRYPYVGJTN-UHFFFAOYSA-N
XLogP4.57
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

L-158809
CID 183134
2-Ethyl-5,7-dimethyl-3-[9-(1H-tetrazol-5-ylmethyl)-9H-fluoren-2-ylmethyl]-3H-imidazo[4,5-b]pyridine
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5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine
CID 10004498
2-butyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15076145
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CID 15076146
2-ethyl-5,7-dimethyl-3-[[4-[5-propyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 44372744
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CID 962311
3-[(2-Fluorophenyl)methyl]-7-thiophen-2-yltriazolo[4,5-d]pyrimidin-5-amine
CID 9880392
2-ethyl-5,7-dimethyl-3-[[4-[(Z)-1-phenyl-2-(2H-tetrazol-5-yl)ethenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 10550859
2-ethyl-5,7-dimethyl-3-[[4-[1-phenyl-2-(2H-tetrazol-5-yl)ethyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 10670628
3-[[4-[(E)-2-bromo-1-phenyl-2-(2H-tetrazol-5-yl)ethenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
CID 10768131
5-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15076144

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-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)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine (CID 19802473) is 2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-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)thiophen-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)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccsc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is XPAQGRYPYVGJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7S/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)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine?
2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 415.53 g/mol, XLogP of 4.57, 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)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 19802473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).