4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one

C23H18ClN5O2 — CID 121309945

IUPAC4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccn4)cn23)CCN1
InChIInChI=1S/C23H18ClN5O2/c24-17-7-4-15(5-8-17)21-22(23(31)28-12-11-26-20(30)14-28)29-13-16(6-9-19(29)27-21)18-3-1-2-10-25-18/h1-10,13H,11-12,14H2,(H,26,30)
InChIKeyXORJLSMWJRETLK-UHFFFAOYSA-N
MW431.88 g/mol
LogP3.29
Rot. Bonds3

About 4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one

4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one (PubChem CID 121309945) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one
PubChem CID121309945
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC Name4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccn4)cn23)CCN1
InChIInChI=1S/C23H18ClN5O2/c24-17-7-4-15(5-8-17)21-22(23(31)28-12-11-26-20(30)14-28)29-13-16(6-9-19(29)27-21)18-3-1-2-10-25-18/h1-10,13H,11-12,14H2,(H,26,30)
InChIKeyXORJLSMWJRETLK-UHFFFAOYSA-N
XLogP3.29
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one (CID 121309945) is 4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one is O=C1CN(C(=O)c2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccn4)cn23)CCN1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one?
The InChIKey is XORJLSMWJRETLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c24-17-7-4-15(5-8-17)21-22(23(31)28-12-11-26-20(30)14-28)29-13-16(6-9-19(29)27-21)18-3-1-2-10-25-18/h1-10,13H,11-12,14H2,(H,26,30).
What are the key properties of 4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one?
4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one has a molecular weight of 431.88 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 121309945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).