methyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate

C20H20N4O2 — CID 19876055

IUPACmethyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCCc1nc2c(C)cc(C(=O)OC)nc2n1Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C20H20N4O2/c1-4-17-23-18-12(2)9-16(20(25)26-3)22-19(18)24(17)11-13-5-6-15-14(10-13)7-8-21-15/h5-10,21H,4,11H2,1-3H3
InChIKeyAVQWGZOSJIQAEG-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.62
Rot. Bonds4

About methyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate

methyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 19876055) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is methyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate
PubChem CID19876055
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Namemethyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCCc1nc2c(C)cc(C(=O)OC)nc2n1Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C20H20N4O2/c1-4-17-23-18-12(2)9-16(20(25)26-3)22-19(18)24(17)11-13-5-6-15-14(10-13)7-8-21-15/h5-10,21H,4,11H2,1-3H3
InChIKeyAVQWGZOSJIQAEG-UHFFFAOYSA-N
XLogP3.62
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of methyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate (CID 19876055) is methyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate is CCc1nc2c(C)cc(C(=O)OC)nc2n1Cc1ccc2[nH]ccc2c1.
What is the InChIKey of methyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is AVQWGZOSJIQAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-4-17-23-18-12(2)9-16(20(25)26-3)22-19(18)24(17)11-13-5-6-15-14(10-13)7-8-21-15/h5-10,21H,4,11H2,1-3H3.
What are the key properties of methyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate?
methyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 348.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-3-(1H-indol-5-ylmethyl)-7-methylimidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 19876055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).