3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid

C19H22N4O5 — CID 159440701

IUPAC3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid
SMILESO=C(O)C(=O)O.c1coc(Cn2c(CC3CCNCC3)nc3cccnc32)c1
InChIInChI=1S/C17H20N4O.C2H2O4/c1-4-15-17(19-7-1)21(12-14-3-2-10-22-14)16(20-15)11-13-5-8-18-9-6-13;3-1(4)2(5)6/h1-4,7,10,13,18H,5-6,8-9,11-12H2;(H,3,4)(H,5,6)
InChIKeyLSDCWQYXSXFOPD-UHFFFAOYSA-N
MW386.41 g/mol
LogP1.77
Rot. Bonds4

About 3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid

3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid (PubChem CID 159440701) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid
PubChem CID159440701
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid
SMILESO=C(O)C(=O)O.c1coc(Cn2c(CC3CCNCC3)nc3cccnc32)c1
InChIInChI=1S/C17H20N4O.C2H2O4/c1-4-15-17(19-7-1)21(12-14-3-2-10-22-14)16(20-15)11-13-5-8-18-9-6-13;3-1(4)2(5)6/h1-4,7,10,13,18H,5-6,8-9,11-12H2;(H,3,4)(H,5,6)
InChIKeyLSDCWQYXSXFOPD-UHFFFAOYSA-N
XLogP1.77
TPSA130.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(E)-but-2-enedioic acid;2-(piperidin-4-ylmethyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 157474822
3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163565
3-(piperidin-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161603
3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161542
3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161648
3-(oxolan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161594
2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117160032
2-(oxolan-2-ylmethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117163243
2-(pyrrolidin-3-ylmethyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161141
3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid
CID 86743720
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161227
3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161522

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid?
The IUPAC name of 3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid (CID 159440701) is 3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid is O=C(O)C(=O)O.c1coc(Cn2c(CC3CCNCC3)nc3cccnc32)c1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid?
The InChIKey is LSDCWQYXSXFOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O.C2H2O4/c1-4-15-17(19-7-1)21(12-14-3-2-10-22-14)16(20-15)11-13-5-8-18-9-6-13;3-1(4)2(5)6/h1-4,7,10,13,18H,5-6,8-9,11-12H2;(H,3,4)(H,5,6).
What are the key properties of 3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid?
3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid has a molecular weight of 386.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid is sourced from PubChem (CID 159440701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).