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

C18H21N5O — CID 166606161

IUPAC3-methyl-2-[3-(pyridin-2-yloxymethyl)piperidin-1-yl]imidazo[4,5-b]pyridine
SMILESCn1c(N2CCCC(COc3ccccn3)C2)nc2cccnc21
InChIInChI=1S/C18H21N5O/c1-22-17-15(7-4-10-20-17)21-18(22)23-11-5-6-14(12-23)13-24-16-8-2-3-9-19-16/h2-4,7-10,14H,5-6,11-13H2,1H3
InChIKeyCQXPHRITZZHXKL-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.66
Rot. Bonds4

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

3-methyl-2-[3-(pyridin-2-yloxymethyl)piperidin-1-yl]imidazo[4,5-b]pyridine (PubChem CID 166606161) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-methyl-2-[3-(pyridin-2-yloxymethyl)piperidin-1-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-2-[3-(pyridin-2-yloxymethyl)piperidin-1-yl]imidazo[4,5-b]pyridine
PubChem CID166606161
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-methyl-2-[3-(pyridin-2-yloxymethyl)piperidin-1-yl]imidazo[4,5-b]pyridine
SMILESCn1c(N2CCCC(COc3ccccn3)C2)nc2cccnc21
InChIInChI=1S/C18H21N5O/c1-22-17-15(7-4-10-20-17)21-18(22)23-11-5-6-14(12-23)13-24-16-8-2-3-9-19-16/h2-4,7-10,14H,5-6,11-13H2,1H3
InChIKeyCQXPHRITZZHXKL-UHFFFAOYSA-N
XLogP2.66
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(pyridin-2-yloxymethyl)piperidin-1-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-2-[3-(pyridin-2-yloxymethyl)piperidin-1-yl]imidazo[4,5-b]pyridine (CID 166606161) is 3-methyl-2-[3-(pyridin-2-yloxymethyl)piperidin-1-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-2-[3-(pyridin-2-yloxymethyl)piperidin-1-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-2-[3-(pyridin-2-yloxymethyl)piperidin-1-yl]imidazo[4,5-b]pyridine is Cn1c(N2CCCC(COc3ccccn3)C2)nc2cccnc21.
What is the InChIKey of 3-methyl-2-[3-(pyridin-2-yloxymethyl)piperidin-1-yl]imidazo[4,5-b]pyridine?
The InChIKey is CQXPHRITZZHXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-22-17-15(7-4-10-20-17)21-18(22)23-11-5-6-14(12-23)13-24-16-8-2-3-9-19-16/h2-4,7-10,14H,5-6,11-13H2,1H3.
What are the key properties of 3-methyl-2-[3-(pyridin-2-yloxymethyl)piperidin-1-yl]imidazo[4,5-b]pyridine?
3-methyl-2-[3-(pyridin-2-yloxymethyl)piperidin-1-yl]imidazo[4,5-b]pyridine has a molecular weight of 323.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(pyridin-2-yloxymethyl)piperidin-1-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 166606161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).