(E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

C16H19N3O2 — CID 43477879

IUPAC(E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESCC1CCCN(c2nc3ccccn3c2/C=C/C(=O)O)C1
InChIInChI=1S/C16H19N3O2/c1-12-5-4-9-18(11-12)16-13(7-8-15(20)21)19-10-3-2-6-14(19)17-16/h2-3,6-8,10,12H,4-5,9,11H2,1H3,(H,20,21)/b8-7+
InChIKeyXZLDXOBGTJFYMV-BQYQJAHWSA-N
MW285.35 g/mol
LogP2.67
Rot. Bonds3

About (E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

(E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (PubChem CID 43477879) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
PubChem CID43477879
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESCC1CCCN(c2nc3ccccn3c2/C=C/C(=O)O)C1
InChIInChI=1S/C16H19N3O2/c1-12-5-4-9-18(11-12)16-13(7-8-15(20)21)19-10-3-2-6-14(19)17-16/h2-3,6-8,10,12H,4-5,9,11H2,1H3,(H,20,21)/b8-7+
InChIKeyXZLDXOBGTJFYMV-BQYQJAHWSA-N
XLogP2.67
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61227192
3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 76944842
(E)-3-[2-[cyclopentyl(methyl)amino]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 43477940
1-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine
CID 63786248
2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 106587506
2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102958616
2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43584666
2-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477803
(E)-3-[2-(4-methylazepan-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 114057014
(E)-3-[6-(4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 16780343
2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 103534998
(5E)-5-[[2-[(3R)-3-methylpiperidin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 92912339

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (CID 43477879) is (E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is CC1CCCN(c2nc3ccccn3c2/C=C/C(=O)O)C1.
What is the InChIKey of (E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The InChIKey is XZLDXOBGTJFYMV-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-5-4-9-18(11-12)16-13(7-8-15(20)21)19-10-3-2-6-14(19)17-16/h2-3,6-8,10,12H,4-5,9,11H2,1H3,(H,20,21)/b8-7+.
What are the key properties of (E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
(E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid has a molecular weight of 285.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is sourced from PubChem (CID 43477879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).