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

C17H24N4S — CID 117162437

IUPAC2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCN1CCCC1c1nc2cccnc2n1CC1CCCSC1
InChIInChI=1S/C17H24N4S/c1-20-9-3-7-15(20)17-19-14-6-2-8-18-16(14)21(17)11-13-5-4-10-22-12-13/h2,6,8,13,15H,3-5,7,9-12H2,1H3
InChIKeyFMWMRJCEOKWGJR-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.34
Rot. Bonds3

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

2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117162437) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117162437
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCN1CCCC1c1nc2cccnc2n1CC1CCCSC1
InChIInChI=1S/C17H24N4S/c1-20-9-3-7-15(20)17-19-14-6-2-8-18-16(14)21(17)11-13-5-4-10-22-12-13/h2,6,8,13,15H,3-5,7,9-12H2,1H3
InChIKeyFMWMRJCEOKWGJR-UHFFFAOYSA-N
XLogP3.34
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162257
2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 117162694
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161816
2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162932
2-pyrrolidin-2-yl-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162436
2-[(1-methylpyrrolidin-2-yl)methyl]-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163233
3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117163017
3-(2-methoxyethyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162749
3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162586
3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162433
3-cyclopropyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162666
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-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117162437) is 2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine is CN1CCCC1c1nc2cccnc2n1CC1CCCSC1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is FMWMRJCEOKWGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-20-9-3-7-15(20)17-19-14-6-2-8-18-16(14)21(17)11-13-5-4-10-22-12-13/h2,6,8,13,15H,3-5,7,9-12H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 316.47 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).