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

C23H20N8O2 — CID 19889340

IUPAC2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCCc1nc2c(C)cc(C(=O)O)nc2n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H20N8O2/c1-3-19-26-20-13(2)10-18(23(32)33)25-22(20)31(19)12-14-4-6-15(7-5-14)16-8-9-24-11-17(16)21-27-29-30-28-21/h4-11H,3,12H2,1-2H3,(H,32,33)(H,27,28,29,30)
InChIKeyUJSBSKRYKPWPPO-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.29
Rot. Bonds6

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

2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 19889340) has the molecular formula C23H20N8O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
PubChem CID19889340
Molecular FormulaC23H20N8O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC Name2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCCc1nc2c(C)cc(C(=O)O)nc2n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H20N8O2/c1-3-19-26-20-13(2)10-18(23(32)33)25-22(20)31(19)12-14-4-6-15(7-5-14)16-8-9-24-11-17(16)21-27-29-30-28-21/h4-11H,3,12H2,1-2H3,(H,32,33)(H,27,28,29,30)
InChIKeyUJSBSKRYKPWPPO-UHFFFAOYSA-N
XLogP3.29
TPSA135.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid (CID 19889340) is 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid is CCc1nc2c(C)cc(C(=O)O)nc2n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is UJSBSKRYKPWPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O2/c1-3-19-26-20-13(2)10-18(23(32)33)25-22(20)31(19)12-14-4-6-15(7-5-14)16-8-9-24-11-17(16)21-27-29-30-28-21/h4-11H,3,12H2,1-2H3,(H,32,33)(H,27,28,29,30).
What are the key properties of 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid?
2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 440.47 g/mol, XLogP of 3.29, 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-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 19889340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).