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

C18H26N4O — CID 117163638

IUPAC3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCN1CCC(Cn2c(CC3CCCCO3)nc3cccnc32)C1
InChIInChI=1S/C18H26N4O/c1-21-9-7-14(12-21)13-22-17(11-15-5-2-3-10-23-15)20-16-6-4-8-19-18(16)22/h4,6,8,14-15H,2-3,5,7,9-13H2,1H3
InChIKeyZQYPMVKZNRBHQL-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.49
Rot. Bonds4

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

3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163638) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163638
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCN1CCC(Cn2c(CC3CCCCO3)nc3cccnc32)C1
InChIInChI=1S/C18H26N4O/c1-21-9-7-14(12-21)13-22-17(11-15-5-2-3-10-23-15)20-16-6-4-8-19-18(16)22/h4,6,8,14-15H,2-3,5,7,9-13H2,1H3
InChIKeyZQYPMVKZNRBHQL-UHFFFAOYSA-N
XLogP2.49
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163742
2-[(1-methylpyrrolidin-3-yl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117161203
2-(oxolan-2-ylmethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117163243
2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163696
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600
3-(1-methylpiperidin-4-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163204
2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294526
2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163159
2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine
CID 117163778
2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117165795
2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294596
2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117164220

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117163638) is 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine is CN1CCC(Cn2c(CC3CCCCO3)nc3cccnc32)C1.
What is the InChIKey of 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is ZQYPMVKZNRBHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21-9-7-14(12-21)13-22-17(11-15-5-2-3-10-23-15)20-16-6-4-8-19-18(16)22/h4,6,8,14-15H,2-3,5,7,9-13H2,1H3.
What are the key properties of 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine?
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 314.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).