5-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carbonitrile

C23H20ClN5O — CID 118631519

IUPAC5-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carbonitrile
SMILESCCCCCn1c(-c2ccc(C#N)nc2)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C23H20ClN5O/c1-2-3-4-11-28-21(17-7-10-19(13-25)26-14-17)12-22(30)29-15-20(27-23(28)29)16-5-8-18(24)9-6-16/h5-10,12,14-15H,2-4,11H2,1H3
InChIKeyMYYDZGBYWMBQCU-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.94
Rot. Bonds6

About 5-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carbonitrile

5-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carbonitrile (PubChem CID 118631519) has the molecular formula C23H20ClN5O and a molecular weight of 417.90 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carbonitrile
PubChem CID118631519
Molecular FormulaC23H20ClN5O
Molecular Weight417.90 g/mol
Exact Mass417.14
IUPAC Name5-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carbonitrile
SMILESCCCCCn1c(-c2ccc(C#N)nc2)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C23H20ClN5O/c1-2-3-4-11-28-21(17-7-10-19(13-25)26-14-17)12-22(30)29-15-20(27-23(28)29)16-5-8-18(24)9-6-16/h5-10,12,14-15H,2-4,11H2,1H3
InChIKeyMYYDZGBYWMBQCU-UHFFFAOYSA-N
XLogP4.94
TPSA75.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carbonitrile (CID 118631519) is 5-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carbonitrile is CCCCCn1c(-c2ccc(C#N)nc2)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 5-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carbonitrile?
The InChIKey is MYYDZGBYWMBQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O/c1-2-3-4-11-28-21(17-7-10-19(13-25)26-14-17)12-22(30)29-15-20(27-23(28)29)16-5-8-18(24)9-6-16/h5-10,12,14-15H,2-4,11H2,1H3.
What are the key properties of 5-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carbonitrile?
5-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carbonitrile has a molecular weight of 417.90 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 118631519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).