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

C22H19N7O2S — CID 19802471

IUPAC2-ethyl-7-methyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCCc1nc2c(C)cc(C(=O)O)nc2n1Cc1ccc(-c2cscc2-c2nn[nH]n2)cc1
InChIInChI=1S/C22H19N7O2S/c1-3-18-24-19-12(2)8-17(22(30)31)23-21(19)29(18)9-13-4-6-14(7-5-13)15-10-32-11-16(15)20-25-27-28-26-20/h4-8,10-11H,3,9H2,1-2H3,(H,30,31)(H,25,26,27,28)
InChIKeyDGBMFUCJNZGTAP-UHFFFAOYSA-N
MW445.51 g/mol
LogP3.96
Rot. Bonds6

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

2-ethyl-7-methyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 19802471) has the molecular formula C22H19N7O2S and a molecular weight of 445.51 g/mol. Its IUPAC name is 2-ethyl-7-methyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-7-methyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
PubChem CID19802471
Molecular FormulaC22H19N7O2S
Molecular Weight445.51 g/mol
Exact Mass445.13
IUPAC Name2-ethyl-7-methyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCCc1nc2c(C)cc(C(=O)O)nc2n1Cc1ccc(-c2cscc2-c2nn[nH]n2)cc1
InChIInChI=1S/C22H19N7O2S/c1-3-18-24-19-12(2)8-17(22(30)31)23-21(19)29(18)9-13-4-6-14(7-5-13)15-10-32-11-16(15)20-25-27-28-26-20/h4-8,10-11H,3,9H2,1-2H3,(H,30,31)(H,25,26,27,28)
InChIKeyDGBMFUCJNZGTAP-UHFFFAOYSA-N
XLogP3.96
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
CID 19802500
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-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 139608427
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-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
CID 154422399
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
4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 19892186
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-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-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19889371
3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 19022818
3-[[4-[5-cycloheptyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
CID 138707098

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 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) is 2-ethyl-7-methyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-7-methyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-ethyl-7-methyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid is CCc1nc2c(C)cc(C(=O)O)nc2n1Cc1ccc(-c2cscc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-ethyl-7-methyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is DGBMFUCJNZGTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2S/c1-3-18-24-19-12(2)8-17(22(30)31)23-21(19)29(18)9-13-4-6-14(7-5-13)15-10-32-11-16(15)20-25-27-28-26-20/h4-8,10-11H,3,9H2,1-2H3,(H,30,31)(H,25,26,27,28).
What are the key properties of 2-ethyl-7-methyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid?
2-ethyl-7-methyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 445.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 19802471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).