6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide

C19H19FN4O3 — CID 70729290

IUPAC6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N(C)CCO)nc2c1=O
InChIInChI=1S/C19H19FN4O3/c1-3-8-24-16(13-4-6-14(20)7-5-13)12-23-11-15(21-17(23)19(24)27)18(26)22(2)9-10-25/h3-7,11-12,25H,1,8-10H2,2H3
InChIKeyFMRCLOQTANWYJP-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.55
Rot. Bonds6

About 6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide

6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 70729290) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID70729290
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESC=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N(C)CCO)nc2c1=O
InChIInChI=1S/C19H19FN4O3/c1-3-8-24-16(13-4-6-14(20)7-5-13)12-23-11-15(21-17(23)19(24)27)18(26)22(2)9-10-25/h3-7,11-12,25H,1,8-10H2,2H3
InChIKeyFMRCLOQTANWYJP-UHFFFAOYSA-N
XLogP1.55
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide (CID 70729290) is 6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide is C=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N(C)CCO)nc2c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is FMRCLOQTANWYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-3-8-24-16(13-4-6-14(20)7-5-13)12-23-11-15(21-17(23)19(24)27)18(26)22(2)9-10-25/h3-7,11-12,25H,1,8-10H2,2H3.
What are the key properties of 6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide?
6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 70729290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).