2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine

C17H26N4 — CID 117166070

IUPAC2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
SMILESCC(C)(C)Cc1nc2cccnc2n1CCN1CCCC1
InChIInChI=1S/C17H26N4/c1-17(2,3)13-15-19-14-7-6-8-18-16(14)21(15)12-11-20-9-4-5-10-20/h6-8H,4-5,9-13H2,1-3H3
InChIKeyDBXZULBOCBOWCH-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.12
Rot. Bonds4

About 2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine

2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine (PubChem CID 117166070) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
PubChem CID117166070
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
SMILESCC(C)(C)Cc1nc2cccnc2n1CCN1CCCC1
InChIInChI=1S/C17H26N4/c1-17(2,3)13-15-19-14-7-6-8-18-16(14)21(15)12-11-20-9-4-5-10-20/h6-8H,4-5,9-13H2,1-3H3
InChIKeyDBXZULBOCBOWCH-UHFFFAOYSA-N
XLogP3.12
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294892
3-[3-(2-piperidin-1-ylethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159774
2-(1-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294964
2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 117162694
3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine
CID 14855700
2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165916
2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117165834
3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117163017
2-[2-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163596
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
2-[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163166
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117161335

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine (CID 117166070) is 2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine is CC(C)(C)Cc1nc2cccnc2n1CCN1CCCC1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
The InChIKey is DBXZULBOCBOWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-17(2,3)13-15-19-14-7-6-8-18-16(14)21(15)12-11-20-9-4-5-10-20/h6-8H,4-5,9-13H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine has a molecular weight of 286.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117166070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).