2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine

C16H24N4 — CID 117166391

IUPAC2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCCC1n1c(C(C)(C)C)nc2cccnc21
InChIInChI=1S/C16H24N4/c1-5-19-11-7-9-13(19)20-14-12(8-6-10-17-14)18-15(20)16(2,3)4/h6,8,10,13H,5,7,9,11H2,1-4H3
InChIKeyRDBPQFZTAGHBMY-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.34
Rot. Bonds2

About 2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine

2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117166391) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
PubChem CID117166391
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCCC1n1c(C(C)(C)C)nc2cccnc21
InChIInChI=1S/C16H24N4/c1-5-19-11-7-9-13(19)20-14-12(8-6-10-17-14)18-15(20)16(2,3)4/h6,8,10,13H,5,7,9,11H2,1-4H3
InChIKeyRDBPQFZTAGHBMY-UHFFFAOYSA-N
XLogP3.34
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117165731
2-[3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159869
3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162855
3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160796
2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162877
2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117166329
2-tert-butyl-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117166366
2-[2-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162171
3-cyclopentyl-2-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163544
2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-amine
CID 83858282
2-(1-ethylpyrrolidin-2-yl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 117162638
2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117162401

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine (CID 117166391) is 2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine is CCN1CCCC1n1c(C(C)(C)C)nc2cccnc21.
What is the InChIKey of 2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is RDBPQFZTAGHBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-19-11-7-9-13(19)20-14-12(8-6-10-17-14)18-15(20)16(2,3)4/h6,8,10,13H,5,7,9,11H2,1-4H3.
What are the key properties of 2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 272.40 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117166391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).