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

C17H24N4S — CID 117162401

IUPAC2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCCN1CCCC1c1nc2cccnc2n1CC1CCCS1
InChIInChI=1S/C17H24N4S/c1-2-20-10-4-8-15(20)17-19-14-7-3-9-18-16(14)21(17)12-13-6-5-11-22-13/h3,7,9,13,15H,2,4-6,8,10-12H2,1H3
InChIKeyMSLXINYQSJSOEE-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.48
Rot. Bonds4

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

2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117162401) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117162401
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCCN1CCCC1c1nc2cccnc2n1CC1CCCS1
InChIInChI=1S/C17H24N4S/c1-2-20-10-4-8-15(20)17-19-14-7-3-9-18-16(14)21(17)12-13-6-5-11-22-13/h3,7,9,13,15H,2,4-6,8,10-12H2,1H3
InChIKeyMSLXINYQSJSOEE-UHFFFAOYSA-N
XLogP3.48
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162171
2-(1-ethylpiperidin-2-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117162752
2-(thian-3-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161914
2-(1-ethylpyrrolidin-2-yl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 117162638
2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162877
2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162437
3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162552
3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164349
3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162433
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162257
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162907
2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162166

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117162401) is 2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine is CCN1CCCC1c1nc2cccnc2n1CC1CCCS1.
What is the InChIKey of 2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is MSLXINYQSJSOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-2-20-10-4-8-15(20)17-19-14-7-3-9-18-16(14)21(17)12-13-6-5-11-22-13/h3,7,9,13,15H,2,4-6,8,10-12H2,1H3.
What are the key properties of 2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 316.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).