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

C18H27N5 — CID 117161554

IUPAC3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESCN1CCCC(n2c(CC3CCNCC3)nc3cccnc32)C1
InChIInChI=1S/C18H27N5/c1-22-11-3-4-15(13-22)23-17(12-14-6-9-19-10-7-14)21-16-5-2-8-20-18(16)23/h2,5,8,14-15,19H,3-4,6-7,9-13H2,1H3
InChIKeyIVBQYVHNPWXRFM-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.24
Rot. Bonds3

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

3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117161554) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117161554
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESCN1CCCC(n2c(CC3CCNCC3)nc3cccnc32)C1
InChIInChI=1S/C18H27N5/c1-22-11-3-4-15(13-22)23-17(12-14-6-9-19-10-7-14)21-16-5-2-8-20-18(16)23/h2,5,8,14-15,19H,3-4,6-7,9-13H2,1H3
InChIKeyIVBQYVHNPWXRFM-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-(1-methylpiperidin-3-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161161
2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161555
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163261
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
2-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117159854
2-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117163216
3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161854
3-(1-methylpiperidin-3-yl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166372
3-pyrrolidin-2-yl-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161180
3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163215

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine (CID 117161554) is 3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine is CN1CCCC(n2c(CC3CCNCC3)nc3cccnc32)C1.
What is the InChIKey of 3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is IVBQYVHNPWXRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-22-11-3-4-15(13-22)23-17(12-14-6-9-19-10-7-14)21-16-5-2-8-20-18(16)23/h2,5,8,14-15,19H,3-4,6-7,9-13H2,1H3.
What are the key properties of 3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[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 3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).