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

C25H24N8O2 — CID 19889361

IUPACethyl 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cc(C)c2nc(CC)n(Cc3ccc(-c4ccncc4-c4nn[nH]n4)cc3)c2n1
InChIInChI=1S/C25H24N8O2/c1-4-21-28-22-15(3)12-20(25(34)35-5-2)27-24(22)33(21)14-16-6-8-17(9-7-16)18-10-11-26-13-19(18)23-29-31-32-30-23/h6-13H,4-5,14H2,1-3H3,(H,29,30,31,32)
InChIKeyCETKHVCPFHEMMJ-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.77
Rot. Bonds7

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

ethyl 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 19889361) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is ethyl 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylate
PubChem CID19889361
Molecular FormulaC25H24N8O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC Nameethyl 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cc(C)c2nc(CC)n(Cc3ccc(-c4ccncc4-c4nn[nH]n4)cc3)c2n1
InChIInChI=1S/C25H24N8O2/c1-4-21-28-22-15(3)12-20(25(34)35-5-2)27-24(22)33(21)14-16-6-8-17(9-7-16)18-10-11-26-13-19(18)23-29-31-32-30-23/h6-13H,4-5,14H2,1-3H3,(H,29,30,31,32)
InChIKeyCETKHVCPFHEMMJ-UHFFFAOYSA-N
XLogP3.77
TPSA124.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylate (CID 19889361) is ethyl 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylate is CCOC(=O)c1cc(C)c2nc(CC)n(Cc3ccc(-c4ccncc4-c4nn[nH]n4)cc3)c2n1.
What is the InChIKey of ethyl 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is CETKHVCPFHEMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c1-4-21-28-22-15(3)12-20(25(34)35-5-2)27-24(22)33(21)14-16-6-8-17(9-7-16)18-10-11-26-13-19(18)23-29-31-32-30-23/h6-13H,4-5,14H2,1-3H3,(H,29,30,31,32).
What are the key properties of ethyl 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylate?
ethyl 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 468.52 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 19889361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).