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

C17H24N4S — CID 117162907

IUPAC3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCC1Cn1c(C2CCCCS2)nc2cccnc21
InChIInChI=1S/C17H24N4S/c1-20-10-5-6-13(20)12-21-16-14(7-4-9-18-16)19-17(21)15-8-2-3-11-22-15/h4,7,9,13,15H,2-3,5-6,8,10-12H2,1H3
InChIKeyVZGJLFFXZOIQAL-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.48
Rot. Bonds3

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

3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162907) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162907
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCC1Cn1c(C2CCCCS2)nc2cccnc21
InChIInChI=1S/C17H24N4S/c1-20-10-5-6-13(20)12-21-16-14(7-4-9-18-16)19-17(21)15-8-2-3-11-22-15/h4,7,9,13,15H,2-3,5-6,8,10-12H2,1H3
InChIKeyVZGJLFFXZOIQAL-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163129
3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162433
3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162552
2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294737
2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162166
3-(pyrrolidin-3-ylmethyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162806
3-[(1-methylpyrrolidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161921
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161911
3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161937
3-(oxolan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162242
2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164354
3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162430

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine (CID 117162907) is 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine is CN1CCCC1Cn1c(C2CCCCS2)nc2cccnc21.
What is the InChIKey of 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is VZGJLFFXZOIQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-20-10-5-6-13(20)12-21-16-14(7-4-9-18-16)19-17(21)15-8-2-3-11-22-15/h4,7,9,13,15H,2-3,5-6,8,10-12H2,1H3.
What are the key properties of 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine?
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 316.47 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).