3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine

C15H16N4S — CID 117164168

IUPAC3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
SMILESCN1CCC(n2c(-c3cccs3)nc3cccnc32)C1
InChIInChI=1S/C15H16N4S/c1-18-8-6-11(10-18)19-14-12(4-2-7-16-14)17-15(19)13-5-3-9-20-13/h2-5,7,9,11H,6,8,10H2,1H3
InChIKeyZPXRDISWYNHGDX-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.04
Rot. Bonds2

About 3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine

3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine (PubChem CID 117164168) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
PubChem CID117164168
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
SMILESCN1CCC(n2c(-c3cccs3)nc3cccnc32)C1
InChIInChI=1S/C15H16N4S/c1-18-8-6-11(10-18)19-14-12(4-2-7-16-14)17-15(19)13-5-3-9-20-13/h2-5,7,9,11H,6,8,10H2,1H3
InChIKeyZPXRDISWYNHGDX-UHFFFAOYSA-N
XLogP3.04
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53017611
3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine
CID 117164272
3,5-dimethyl-4-[(3S)-3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95108581
2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117165386
3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163191
3-(1-methylpiperidin-3-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161161
2-ethyl-3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416498
2-(1-ethylpiperidin-3-yl)-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117161788
3-(1-methylpiperidin-3-yl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166372
2-thiophen-3-yl-3-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416512
1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine
CID 121016353
3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165622

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine (CID 117164168) is 3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine is CN1CCC(n2c(-c3cccs3)nc3cccnc32)C1.
What is the InChIKey of 3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine?
The InChIKey is ZPXRDISWYNHGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-18-8-6-11(10-18)19-14-12(4-2-7-16-14)17-15(19)13-5-3-9-20-13/h2-5,7,9,11H,6,8,10H2,1H3.
What are the key properties of 3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine?
3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine has a molecular weight of 284.39 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117164168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).