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

C18H27N5 — CID 117161555

IUPAC2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine
SMILESCN1CCC(Cc2nc3cccnc3n2C2CCCNC2)CC1
InChIInChI=1S/C18H27N5/c1-22-10-6-14(7-11-22)12-17-21-16-5-3-9-20-18(16)23(17)15-4-2-8-19-13-15/h3,5,9,14-15,19H,2,4,6-8,10-13H2,1H3
InChIKeyUHWUOLZYLUIRJM-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.24
Rot. Bonds3

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

2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine (PubChem CID 117161555) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine
PubChem CID117161555
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine
SMILESCN1CCC(Cc2nc3cccnc3n2C2CCCNC2)CC1
InChIInChI=1S/C18H27N5/c1-22-10-6-14(7-11-22)12-17-21-16-5-3-9-20-18(16)23(17)15-4-2-8-19-13-15/h3,5,9,14-15,19H,2,4,6-8,10-13H2,1H3
InChIKeyUHWUOLZYLUIRJM-UHFFFAOYSA-N
XLogP2.24
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161554
3-(1-methylpiperidin-3-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161161
2-[(3-piperidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117165211
3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163215
3-pyrrolidin-2-yl-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161180
2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117163622
3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161854
3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161522
3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163191
3-(1-methylpiperidin-4-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163204
2-[(1-methylpyrrolidin-3-yl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117161203

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine (CID 117161555) is 2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine is CN1CCC(Cc2nc3cccnc3n2C2CCCNC2)CC1.
What is the InChIKey of 2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine?
The InChIKey is UHWUOLZYLUIRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-22-10-6-14(7-11-22)12-17-21-16-5-3-9-20-18(16)23(17)15-4-2-8-19-13-15/h3,5,9,14-15,19H,2,4,6-8,10-13H2,1H3.
What are the key properties of 2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine?
2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine has a molecular weight of 313.45 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117161555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).