6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one

C22H23ClN4O2 — CID 95869993

IUPAC6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one
SMILESC=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CCC[C@H]3CC)nc2c1=O
InChIInChI=1S/C22H23ClN4O2/c1-3-11-27-19(16-9-5-6-10-17(16)23)14-25-13-18(24-20(25)22(27)29)21(28)26-12-7-8-15(26)4-2/h3,5-6,9-10,13-15H,1,4,7-8,11-12H2,2H3/t15-/m1/s1
InChIKeyOSWSHDHGNLQWNF-OAHLLOKOSA-N
MW410.91 g/mol
LogP4.02
Rot. Bonds5

About 6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one

6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one (PubChem CID 95869993) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one
PubChem CID95869993
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one
SMILESC=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CCC[C@H]3CC)nc2c1=O
InChIInChI=1S/C22H23ClN4O2/c1-3-11-27-19(16-9-5-6-10-17(16)23)14-25-13-18(24-20(25)22(27)29)21(28)26-12-7-8-15(26)4-2/h3,5-6,9-10,13-15H,1,4,7-8,11-12H2,2H3/t15-/m1/s1
InChIKeyOSWSHDHGNLQWNF-OAHLLOKOSA-N
XLogP4.02
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one (CID 95869993) is 6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one is C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CCC[C@H]3CC)nc2c1=O.
What is the InChIKey of 6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one?
The InChIKey is OSWSHDHGNLQWNF-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-3-11-27-19(16-9-5-6-10-17(16)23)14-25-13-18(24-20(25)22(27)29)21(28)26-12-7-8-15(26)4-2/h3,5-6,9-10,13-15H,1,4,7-8,11-12H2,2H3/t15-/m1/s1.
What are the key properties of 6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one?
6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one has a molecular weight of 410.91 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 95869993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).