5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine

C12H16N4O — CID 79815652

IUPAC5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccc2[nH]c(C3CCCN3)nc2n1
InChIInChI=1S/C12H16N4O/c1-2-17-10-6-5-9-12(15-10)16-11(14-9)8-4-3-7-13-8/h5-6,8,13H,2-4,7H2,1H3,(H,14,15,16)
InChIKeyLFTJZXAZNLAHKR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.78
Rot. Bonds3

About 5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine

5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 79815652) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine
PubChem CID79815652
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccc2[nH]c(C3CCCN3)nc2n1
InChIInChI=1S/C12H16N4O/c1-2-17-10-6-5-9-12(15-10)16-11(14-9)8-4-3-7-13-8/h5-6,8,13H,2-4,7H2,1H3,(H,14,15,16)
InChIKeyLFTJZXAZNLAHKR-UHFFFAOYSA-N
XLogP1.78
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine
CID 79816213
2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentan-1-amine
CID 79815882
2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
CID 79815805
2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylcyclopentan-1-amine
CID 82762846
5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine
CID 65483260
4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 25219064
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
CID 79815994
3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
CID 79816406
2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methylethanamine
CID 79815427
2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole
CID 59236993
5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650691

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine (CID 79815652) is 5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine is CCOc1ccc2[nH]c(C3CCCN3)nc2n1.
What is the InChIKey of 5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is LFTJZXAZNLAHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-17-10-6-5-9-12(15-10)16-11(14-9)8-4-3-7-13-8/h5-6,8,13H,2-4,7H2,1H3,(H,14,15,16).
What are the key properties of 5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine?
5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 232.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 79815652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).