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

C13H18N4 — CID 117162037

IUPAC3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCC(c2nc3cccnc3n2C)C1
InChIInChI=1S/C13H18N4/c1-16-8-4-5-10(9-16)12-15-11-6-3-7-14-13(11)17(12)2/h3,6-7,10H,4-5,8-9H2,1-2H3
InChIKeyXSKUCKOBSYMQRE-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.78
Rot. Bonds1

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

3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117162037) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
PubChem CID117162037
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCC(c2nc3cccnc3n2C)C1
InChIInChI=1S/C13H18N4/c1-16-8-4-5-10(9-16)12-15-11-6-3-7-14-13(11)17(12)2/h3,6-7,10H,4-5,8-9H2,1-2H3
InChIKeyXSKUCKOBSYMQRE-UHFFFAOYSA-N
XLogP1.78
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpyrrolidin-2-yl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117160229
2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161818
3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162140
3-methyl-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 63757632
2-(1-ethylpiperidin-3-yl)-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117161788
3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53191327
3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160734
3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161854
bis((E)-but-2-enedioic acid);3-(2-ethoxyethyl)-2-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-b]pyridine
CID 67923199
N-(3,5-dimethylphenyl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 87054297
1-[(3R)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 95110073
3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110411

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine (CID 117162037) is 3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine is CN1CCCC(c2nc3cccnc3n2C)C1.
What is the InChIKey of 3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is XSKUCKOBSYMQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-16-8-4-5-10(9-16)12-15-11-6-3-7-14-13(11)17(12)2/h3,6-7,10H,4-5,8-9H2,1-2H3.
What are the key properties of 3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine?
3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 230.31 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).