N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide

C22H22ClN3O3 — CID 42813739

IUPACN-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide
SMILESCCN(CC(=O)N1CCn2cccc2C1c1ccccc1Cl)C(=O)c1ccco1
InChIInChI=1S/C22H22ClN3O3/c1-2-24(22(28)19-10-6-14-29-19)15-20(27)26-13-12-25-11-5-9-18(25)21(26)16-7-3-4-8-17(16)23/h3-11,14,21H,2,12-13,15H2,1H3
InChIKeyNPIMQTSHPSBDMD-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.83
Rot. Bonds5

About N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide

N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide (PubChem CID 42813739) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide
PubChem CID42813739
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC NameN-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide
SMILESCCN(CC(=O)N1CCn2cccc2C1c1ccccc1Cl)C(=O)c1ccco1
InChIInChI=1S/C22H22ClN3O3/c1-2-24(22(28)19-10-6-14-29-19)15-20(27)26-13-12-25-11-5-9-18(25)21(26)16-7-3-4-8-17(16)23/h3-11,14,21H,2,12-13,15H2,1H3
InChIKeyNPIMQTSHPSBDMD-UHFFFAOYSA-N
XLogP3.83
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylpropanamide
CID 42814082
N-tert-butyl-N-[2-[(1S)-1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 93305367
N-tert-butyl-N-[2-[(1S)-1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 93305748
N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide
CID 42814029
1-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propylurea
CID 42813891
3-chloro-N-ethyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]benzamide
CID 42797998
N-tert-butyl-N-[2-[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93305598
N-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide
CID 25072965
N-tert-butyl-N-[2-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]furan-2-carboxamide
CID 93143059
N-tert-butyl-N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide
CID 42798052
N-ethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide
CID 4312142
N-[2-[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 42788975

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide?
The IUPAC name of N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide (CID 42813739) is N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide?
The canonical SMILES for N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide is CCN(CC(=O)N1CCn2cccc2C1c1ccccc1Cl)C(=O)c1ccco1.
What is the InChIKey of N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide?
The InChIKey is NPIMQTSHPSBDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-2-24(22(28)19-10-6-14-29-19)15-20(27)26-13-12-25-11-5-9-18(25)21(26)16-7-3-4-8-17(16)23/h3-11,14,21H,2,12-13,15H2,1H3.
What are the key properties of N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide?
N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 42813739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).