7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine

C12H16N4O — CID 84695842

IUPAC7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccnc2nc(C3CCNC3)[nH]c12
InChIInChI=1S/C12H16N4O/c1-2-17-9-4-6-14-12-10(9)15-11(16-12)8-3-5-13-7-8/h4,6,8,13H,2-3,5,7H2,1H3,(H,14,15,16)
InChIKeyNQNNOWZAJTYHFD-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.43
Rot. Bonds3

About 7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine

7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 84695842) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine
PubChem CID84695842
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccnc2nc(C3CCNC3)[nH]c12
InChIInChI=1S/C12H16N4O/c1-2-17-9-4-6-14-12-10(9)15-11(16-12)8-3-5-13-7-8/h4,6,8,13H,2-3,5,7H2,1H3,(H,14,15,16)
InChIKeyNQNNOWZAJTYHFD-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine
CID 84681943
7-chloro-2-cyclopropyl-1H-imidazo[4,5-b]pyridine
CID 67210504
6-ethoxy-2-piperidin-3-yl-1H-benzimidazole
CID 82331880
6-methyl-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine
CID 79795877
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
3-(2-ethoxy-4-methoxyphenyl)pyrrolidine
CID 117316343
7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 174173990
4-(7-chloro-1H-imidazo[4,5-b]pyridin-2-yl)piperidin-2-one
CID 121249937
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
3-(azetidin-3-yl)-4-ethoxypyridine
CID 130565717
4-cyclopropyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole
CID 105458221
4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole
CID 105478440

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine (CID 84695842) is 7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine is CCOc1ccnc2nc(C3CCNC3)[nH]c12.
What is the InChIKey of 7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is NQNNOWZAJTYHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-17-9-4-6-14-12-10(9)15-11(16-12)8-3-5-13-7-8/h4,6,8,13H,2-3,5,7H2,1H3,(H,14,15,16).
What are the key properties of 7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine?
7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 232.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 84695842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).