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

C17H25N5 — CID 117161854

IUPAC3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine
SMILESCN1CCCC(n2c(C3CCCNC3)nc3cccnc32)C1
InChIInChI=1S/C17H25N5/c1-21-10-4-6-14(12-21)22-16(13-5-2-8-18-11-13)20-15-7-3-9-19-17(15)22/h3,7,9,13-14,18H,2,4-6,8,10-12H2,1H3
InChIKeyPYQRSTJDAIYJGS-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.16
Rot. Bonds2

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

3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine (PubChem CID 117161854) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine
PubChem CID117161854
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine
SMILESCN1CCCC(n2c(C3CCCNC3)nc3cccnc32)C1
InChIInChI=1S/C17H25N5/c1-21-10-4-6-14(12-21)22-16(13-5-2-8-18-11-13)20-15-7-3-9-19-17(15)22/h3,7,9,13-14,18H,2,4-6,8,10-12H2,1H3
InChIKeyPYQRSTJDAIYJGS-UHFFFAOYSA-N
XLogP2.16
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160734
3-methyl-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 63757632
2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161851
2-(1-ethylpiperidin-3-yl)-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117161788
3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161554
3-[(1-methylpyrrolidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161921
3-(1-methylpiperidin-3-yl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166372
3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162037
2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161555
3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161937
3-(1-methylpiperidin-3-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161161
3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine
CID 117164272

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine (CID 117161854) is 3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine is CN1CCCC(n2c(C3CCCNC3)nc3cccnc32)C1.
What is the InChIKey of 3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine?
The InChIKey is PYQRSTJDAIYJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-21-10-4-6-14(12-21)22-16(13-5-2-8-18-11-13)20-15-7-3-9-19-17(15)22/h3,7,9,13-14,18H,2,4-6,8,10-12H2,1H3.
What are the key properties of 3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine?
3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine has a molecular weight of 299.42 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117161854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).