1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone

C20H21N5O — CID 135249413

IUPAC1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2cccc3ncc(C#Cc4cnn(C)c4)n23)CC1
InChIInChI=1S/C20H21N5O/c1-15(26)17-8-10-24(11-9-17)20-5-3-4-19-21-13-18(25(19)20)7-6-16-12-22-23(2)14-16/h3-5,12-14,17H,8-11H2,1-2H3
InChIKeyMJRZVHSUMIAICQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.27
Rot. Bonds2

About 1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone

1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone (PubChem CID 135249413) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone
PubChem CID135249413
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2cccc3ncc(C#Cc4cnn(C)c4)n23)CC1
InChIInChI=1S/C20H21N5O/c1-15(26)17-8-10-24(11-9-17)20-5-3-4-19-21-13-18(25(19)20)7-6-16-12-22-23(2)14-16/h3-5,12-14,17H,8-11H2,1-2H3
InChIKeyMJRZVHSUMIAICQ-UHFFFAOYSA-N
XLogP2.27
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone (CID 135249413) is 1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone is CC(=O)C1CCN(c2cccc3ncc(C#Cc4cnn(C)c4)n23)CC1.
What is the InChIKey of 1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone?
The InChIKey is MJRZVHSUMIAICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-15(26)17-8-10-24(11-9-17)20-5-3-4-19-21-13-18(25(19)20)7-6-16-12-22-23(2)14-16/h3-5,12-14,17H,8-11H2,1-2H3.
What are the key properties of 1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone?
1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone has a molecular weight of 347.42 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]ethanone is sourced from PubChem (CID 135249413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).