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

C15H20N4S — CID 117163186

IUPAC2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCN1)n2C1CCSC1
InChIInChI=1S/C15H20N4S/c1-3-11(16-6-1)9-14-18-13-4-2-7-17-15(13)19(14)12-5-8-20-10-12/h2,4,7,11-12,16H,1,3,5-6,8-10H2
InChIKeyWVZOCKRNVKTOMZ-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.40
Rot. Bonds3

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

2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117163186) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
PubChem CID117163186
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCN1)n2C1CCSC1
InChIInChI=1S/C15H20N4S/c1-3-11(16-6-1)9-14-18-13-4-2-7-17-15(13)19(14)12-5-8-20-10-12/h2,4,7,11-12,16H,1,3,5-6,8-10H2
InChIKeyWVZOCKRNVKTOMZ-UHFFFAOYSA-N
XLogP2.40
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163215
2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163643
2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117165594
3-(oxan-2-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163310
3-pyrrolidin-2-yl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163944
3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164087
3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164099
2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117165693
3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164104
4-[[2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117163423
2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163234
3-(oxolan-3-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163882

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine (CID 117163186) is 2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(CC1CCCN1)n2C1CCSC1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is WVZOCKRNVKTOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-3-11(16-6-1)9-14-18-13-4-2-7-17-15(13)19(14)12-5-8-20-10-12/h2,4,7,11-12,16H,1,3,5-6,8-10H2.
What are the key properties of 2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine?
2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 288.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).