8-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyrazine-2-carboxamide

C20H20FN5O2 — CID 53188969

IUPAC8-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cn2ccnc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C20H20FN5O2/c21-15-6-4-14(5-7-15)18-19-24-16(13-26(19)12-9-22-18)20(28)23-8-2-11-25-10-1-3-17(25)27/h4-7,9,12-13H,1-3,8,10-11H2,(H,23,28)
InChIKeyHCHMZGRHRGKVEB-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.28
Rot. Bonds6

About 8-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyrazine-2-carboxamide

8-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 53188969) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name8-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID53188969
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name8-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cn2ccnc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C20H20FN5O2/c21-15-6-4-14(5-7-15)18-19-24-16(13-26(19)12-9-22-18)20(28)23-8-2-11-25-10-1-3-17(25)27/h4-7,9,12-13H,1-3,8,10-11H2,(H,23,28)
InChIKeyHCHMZGRHRGKVEB-UHFFFAOYSA-N
XLogP2.28
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 8-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 8-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyrazine-2-carboxamide (CID 53188969) is 8-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 8-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 8-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyrazine-2-carboxamide is O=C(NCCCN1CCCC1=O)c1cn2ccnc(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 8-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is HCHMZGRHRGKVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-15-6-4-14(5-7-15)18-19-24-16(13-26(19)12-9-22-18)20(28)23-8-2-11-25-10-1-3-17(25)27/h4-7,9,12-13H,1-3,8,10-11H2,(H,23,28).
What are the key properties of 8-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyrazine-2-carboxamide?
8-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 53188969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).