formic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one

C18H17N3O3 — CID 155972311

IUPACformic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one
SMILESO=C1CC(c2ccc(-c3ccn4ccnc4c3)cc2)CN1.O=CO
InChIInChI=1S/C17H15N3O.CH2O2/c21-17-10-15(11-19-17)13-3-1-12(2-4-13)14-5-7-20-8-6-18-16(20)9-14;2-1-3/h1-9,15H,10-11H2,(H,19,21);1H,(H,2,3)
InChIKeyIDODFBHJSLEBJO-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.31
Rot. Bonds2

About formic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one

formic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one (PubChem CID 155972311) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is formic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Nameformic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one
PubChem CID155972311
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Nameformic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one
SMILESO=C1CC(c2ccc(-c3ccn4ccnc4c3)cc2)CN1.O=CO
InChIInChI=1S/C17H15N3O.CH2O2/c21-17-10-15(11-19-17)13-3-1-12(2-4-13)14-5-7-20-8-6-18-16(20)9-14;2-1-3/h1-9,15H,10-11H2,(H,19,21);1H,(H,2,3)
InChIKeyIDODFBHJSLEBJO-UHFFFAOYSA-N
XLogP2.31
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one?
The IUPAC name of formic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one (CID 155972311) is formic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for formic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for formic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one is O=C1CC(c2ccc(-c3ccn4ccnc4c3)cc2)CN1.O=CO.
What is the InChIKey of formic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one?
The InChIKey is IDODFBHJSLEBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O.CH2O2/c21-17-10-15(11-19-17)13-3-1-12(2-4-13)14-5-7-20-8-6-18-16(20)9-14;2-1-3/h1-9,15H,10-11H2,(H,19,21);1H,(H,2,3).
What are the key properties of formic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one?
formic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one has a molecular weight of 323.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 155972311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).