1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C22H22FN3O2 — CID 16810903

IUPAC1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCOc1ccc(C2c3cccn3CCN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FN3O2/c1-2-28-19-11-5-16(6-12-19)21-20-4-3-13-25(20)14-15-26(21)22(27)24-18-9-7-17(23)8-10-18/h3-13,21H,2,14-15H2,1H3,(H,24,27)
InChIKeyGZHXZUPRKWWBEM-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.66
Rot. Bonds4

About 1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 16810903) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID16810903
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCOc1ccc(C2c3cccn3CCN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FN3O2/c1-2-28-19-11-5-16(6-12-19)21-20-4-3-13-25(20)14-15-26(21)22(27)24-18-9-7-17(23)8-10-18/h3-13,21H,2,14-15H2,1H3,(H,24,27)
InChIKeyGZHXZUPRKWWBEM-UHFFFAOYSA-N
XLogP4.66
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-(4-ethoxyphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589895
(1R)-N-(4-ethoxyphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387337
(1R)-N-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 8670302
(1R)-1-(4-tert-butylphenyl)-N-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 93115188
N-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994519
(1R)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589683
N-(4-tert-butylphenyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994443
1-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4609321
N-(4-ethoxyphenyl)-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994615
1-(4-methoxyphenyl)-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810890
1-(4-ethoxyphenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 23875216
(1S)-N-(4-bromophenyl)-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 41048706

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 16810903) is 1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCOc1ccc(C2c3cccn3CCN2C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is GZHXZUPRKWWBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-2-28-19-11-5-16(6-12-19)21-20-4-3-13-25(20)14-15-26(21)22(27)24-18-9-7-17(23)8-10-18/h3-13,21H,2,14-15H2,1H3,(H,24,27).
What are the key properties of 1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 16810903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).