6-(4-fluorophenyl)-N-(2-hydroxypropyl)-N-methyl-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide

C22H25FN4O3 — CID 70747590

IUPAC6-(4-fluorophenyl)-N-(2-hydroxypropyl)-N-methyl-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N(C)CC(C)O)nc2c1=O
InChIInChI=1S/C22H25FN4O3/c1-14(2)9-10-27-19(16-5-7-17(23)8-6-16)13-26-12-18(24-20(26)22(27)30)21(29)25(4)11-15(3)28/h5-9,12-13,15,28H,10-11H2,1-4H3
InChIKeyQZXTUJOXRWVPOO-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.72
Rot. Bonds6

About 6-(4-fluorophenyl)-N-(2-hydroxypropyl)-N-methyl-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide

6-(4-fluorophenyl)-N-(2-hydroxypropyl)-N-methyl-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 70747590) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(2-hydroxypropyl)-N-methyl-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(2-hydroxypropyl)-N-methyl-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID70747590
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name6-(4-fluorophenyl)-N-(2-hydroxypropyl)-N-methyl-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N(C)CC(C)O)nc2c1=O
InChIInChI=1S/C22H25FN4O3/c1-14(2)9-10-27-19(16-5-7-17(23)8-6-16)13-26-12-18(24-20(26)22(27)30)21(29)25(4)11-15(3)28/h5-9,12-13,15,28H,10-11H2,1-4H3
InChIKeyQZXTUJOXRWVPOO-UHFFFAOYSA-N
XLogP2.72
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.72
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-hydroxypropyl)-N-methyl-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-(2-hydroxypropyl)-N-methyl-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide (CID 70747590) is 6-(4-fluorophenyl)-N-(2-hydroxypropyl)-N-methyl-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(2-hydroxypropyl)-N-methyl-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-(2-hydroxypropyl)-N-methyl-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide is CC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N(C)CC(C)O)nc2c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-N-(2-hydroxypropyl)-N-methyl-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is QZXTUJOXRWVPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-14(2)9-10-27-19(16-5-7-17(23)8-6-16)13-26-12-18(24-20(26)22(27)30)21(29)25(4)11-15(3)28/h5-9,12-13,15,28H,10-11H2,1-4H3.
What are the key properties of 6-(4-fluorophenyl)-N-(2-hydroxypropyl)-N-methyl-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
6-(4-fluorophenyl)-N-(2-hydroxypropyl)-N-methyl-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.72, 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-hydroxypropyl)-N-methyl-7-(3-methylbut-2-enyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 70747590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).