methyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate

C10H11N3O2 — CID 112617607

IUPACmethyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate
SMILESCCn1c(C(=O)OC)nc2cccnc21
InChIInChI=1S/C10H11N3O2/c1-3-13-8-7(5-4-6-11-8)12-9(13)10(14)15-2/h4-6H,3H2,1-2H3
InChIKeyMBCHGMCKBRRVAM-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.24
Rot. Bonds2

About methyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate

methyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate (PubChem CID 112617607) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is methyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate
PubChem CID112617607
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Namemethyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate
SMILESCCn1c(C(=O)OC)nc2cccnc21
InChIInChI=1S/C10H11N3O2/c1-3-13-8-7(5-4-6-11-8)12-9(13)10(14)15-2/h4-6H,3H2,1-2H3
InChIKeyMBCHGMCKBRRVAM-UHFFFAOYSA-N
XLogP1.24
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-methylimidazo[4,5-b]pyridine
CID 23298284
methyl 1-ethylimidazo[4,5-c]pyridine-2-carboxylate
CID 112617609
4-ethyl-N-[(4-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189785
3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid
CID 84684642
ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate
CID 79474968
N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]acetamide
CID 110225703
methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate
CID 53019970
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone
CID 71628890
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methoxypropan-1-amine
CID 103153994
methyl 3-[[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate
CID 95110295
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 53021036

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate (CID 112617607) is methyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate is CCn1c(C(=O)OC)nc2cccnc21.
What is the InChIKey of methyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate?
The InChIKey is MBCHGMCKBRRVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-3-13-8-7(5-4-6-11-8)12-9(13)10(14)15-2/h4-6H,3H2,1-2H3.
What are the key properties of methyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate?
methyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate has a molecular weight of 205.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate is sourced from PubChem (CID 112617607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).