3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid

C19H23N5O5 — CID 86743720

IUPAC3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid
SMILESCc1ccc(Cn2c(NC3CCNCC3)nc3cccnc32)o1.O=C(O)C(=O)O
InChIInChI=1S/C17H21N5O.C2H2O4/c1-12-4-5-14(23-12)11-22-16-15(3-2-8-19-16)21-17(22)20-13-6-9-18-10-7-13;3-1(4)2(5)6/h2-5,8,13,18H,6-7,9-11H2,1H3,(H,20,21);(H,3,4)(H,5,6)
InChIKeyKLRNULGGLGVCCO-UHFFFAOYSA-N
MW401.42 g/mol
LogP1.70
Rot. Bonds4

About 3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid

3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid (PubChem CID 86743720) has the molecular formula C19H23N5O5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid.

Molecular Properties

Compound Name3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid
PubChem CID86743720
Molecular FormulaC19H23N5O5
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Name3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid
SMILESCc1ccc(Cn2c(NC3CCNCC3)nc3cccnc32)o1.O=C(O)C(=O)O
InChIInChI=1S/C17H21N5O.C2H2O4/c1-12-4-5-14(23-12)11-22-16-15(3-2-8-19-16)21-17(22)20-13-6-9-18-10-7-13;3-1(4)2(5)6/h2-5,8,13,18H,6-7,9-11H2,1H3,(H,20,21);(H,3,4)(H,5,6)
InChIKeyKLRNULGGLGVCCO-UHFFFAOYSA-N
XLogP1.70
TPSA142.51 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid
CID 139831398
bis(2-[4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethanol);oxalic acid
CID 67895703
7-methyl-6-[2-[4-[[3-[(5-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]azepan-1-yl]ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 15037439
3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid
CID 159440701
1-[(5-methylfuran-2-yl)methyl]-N-[1-[2-(pyrimidin-2-ylamino)ethyl]azepan-4-yl]benzimidazol-2-amine;oxalate
CID 19875923
bis(ethyl 4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate);hydrate
CID 70358450
ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate
CID 14677557
N-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine
CID 19785321
3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160855
2-hydroxy-2-[2-[[3-[(5-methylfuran-2-yl)methyl]-2-(piperidin-4-ylamino)-2H-imidazo[4,5-b]pyridin-1-yl]oxy]-2-oxoethyl]butanedioic acid
CID 67758011
N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide
CID 57116659
1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018629

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid?
The IUPAC name of 3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid (CID 86743720) is 3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid.
What is the SMILES notation for 3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid?
The canonical SMILES for 3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid is Cc1ccc(Cn2c(NC3CCNCC3)nc3cccnc32)o1.O=C(O)C(=O)O.
What is the InChIKey of 3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid?
The InChIKey is KLRNULGGLGVCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O.C2H2O4/c1-12-4-5-14(23-12)11-22-16-15(3-2-8-19-16)21-17(22)20-13-6-9-18-10-7-13;3-1(4)2(5)6/h2-5,8,13,18H,6-7,9-11H2,1H3,(H,20,21);(H,3,4)(H,5,6).
What are the key properties of 3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid?
3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid has a molecular weight of 401.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine;oxalic acid is sourced from PubChem (CID 86743720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).