[1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone

C22H22FN3O — CID 42812200

IUPAC[1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone
SMILESCN(C)c1ccc(C2c3cccn3CCN2C(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C22H22FN3O/c1-24(2)19-10-8-16(9-11-19)21-20-7-4-12-25(20)13-14-26(21)22(27)17-5-3-6-18(23)15-17/h3-12,15,21H,13-14H2,1-2H3
InChIKeyYVIIXVFTSAKYKC-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.94
Rot. Bonds3

About [1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone

[1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone (PubChem CID 42812200) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is [1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone
PubChem CID42812200
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name[1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone
SMILESCN(C)c1ccc(C2c3cccn3CCN2C(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C22H22FN3O/c1-24(2)19-10-8-16(9-11-19)21-20-7-4-12-25(20)13-14-26(21)22(27)17-5-3-6-18(23)15-17/h3-12,15,21H,13-14H2,1-2H3
InChIKeyYVIIXVFTSAKYKC-UHFFFAOYSA-N
XLogP3.94
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(3-fluorophenyl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 24859698
(3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 93115169
N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide
CID 55558056
[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 4526644
N-tert-butyl-3-fluoro-N-[2-[(1R)-1-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide
CID 93305627
[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 93115122
[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-naphthalen-1-ylmethanone
CID 3318812
N-[2-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-methoxy-N-propylbenzamide
CID 5099515
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
3-chloro-N-[2-[(1S)-1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 92946730
N-tert-butyl-3-fluoro-N-[2-[(1S)-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide
CID 93305531
[4-methoxy-3-(trifluoromethyl)phenyl]-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 97473423

Frequently Asked Questions

What is the IUPAC name of [1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone (CID 42812200) is [1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone is CN(C)c1ccc(C2c3cccn3CCN2C(=O)c2cccc(F)c2)cc1.
What is the InChIKey of [1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone?
The InChIKey is YVIIXVFTSAKYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-24(2)19-10-8-16(9-11-19)21-20-7-4-12-25(20)13-14-26(21)22(27)17-5-3-6-18(23)15-17/h3-12,15,21H,13-14H2,1-2H3.
What are the key properties of [1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone?
[1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone has a molecular weight of 363.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 42812200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).