3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine

C17H20N4S — CID 117164272

IUPAC3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-c2nc3cccnc3n2C2CCCN(C)C2)s1
InChIInChI=1S/C17H20N4S/c1-12-7-8-15(22-12)17-19-14-6-3-9-18-16(14)21(17)13-5-4-10-20(2)11-13/h3,6-9,13H,4-5,10-11H2,1-2H3
InChIKeyRBOIUBKVMRTNSM-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.73
Rot. Bonds2

About 3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine

3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117164272) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine
PubChem CID117164272
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-c2nc3cccnc3n2C2CCCN(C)C2)s1
InChIInChI=1S/C17H20N4S/c1-12-7-8-15(22-12)17-19-14-6-3-9-18-16(14)21(17)13-5-4-10-20(2)11-13/h3,6-9,13H,4-5,10-11H2,1-2H3
InChIKeyRBOIUBKVMRTNSM-UHFFFAOYSA-N
XLogP3.73
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164168
3-(1-methylpiperidin-3-yl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166372
2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53017611
3-(1-methylpiperidin-3-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161161
3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160734
2-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117159854
3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163261
3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161854
3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161554
(E)-N-methyl-3-[3-[3-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide
CID 58787430
3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163191
2-(1-ethylpiperidin-3-yl)-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117161788

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine (CID 117164272) is 3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine is Cc1ccc(-c2nc3cccnc3n2C2CCCN(C)C2)s1.
What is the InChIKey of 3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is RBOIUBKVMRTNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-12-7-8-15(22-12)17-19-14-6-3-9-18-16(14)21(17)13-5-4-10-20(2)11-13/h3,6-9,13H,4-5,10-11H2,1-2H3.
What are the key properties of 3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine?
3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 312.44 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).