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

C20H15Cl2FN2O — CID 93304342

IUPAC[(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCn2cccc2[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H15Cl2FN2O/c21-15-8-7-13(12-16(15)22)19-18-6-3-9-24(18)10-11-25(19)20(26)14-4-1-2-5-17(14)23/h1-9,12,19H,10-11H2/t19-/m1/s1
InChIKeySGMWMLGAADQWRL-LJQANCHMSA-N
MW389.26 g/mol
LogP5.18
Rot. Bonds2

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

[(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone (PubChem CID 93304342) has the molecular formula C20H15Cl2FN2O and a molecular weight of 389.26 g/mol. Its IUPAC name is [(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone
PubChem CID93304342
Molecular FormulaC20H15Cl2FN2O
Molecular Weight389.26 g/mol
Exact Mass388.05
IUPAC Name[(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCn2cccc2[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H15Cl2FN2O/c21-15-8-7-13(12-16(15)22)19-18-6-3-9-24(18)10-11-25(19)20(26)14-4-1-2-5-17(14)23/h1-9,12,19H,10-11H2/t19-/m1/s1
InChIKeySGMWMLGAADQWRL-LJQANCHMSA-N
XLogP5.18
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.26
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 93115122
[(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 93115137
[1-(4-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methoxyphenyl)methanone
CID 24859702
[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-naphthalen-1-ylmethanone
CID 3318812
1-(3,4-dichlorophenyl)-N-phenyl-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 42741062
(1S)-N-(3,4-dichlorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387321
2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46129443
N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-ethylmethanesulfonamide
CID 83282094
(1R)-1-(4-chlorophenyl)-N-(2,6-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589583
[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 126437773
N-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide
CID 25072020
(3-fluorophenyl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 24859698

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone (CID 93304342) is [(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCn2cccc2[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone?
The InChIKey is SGMWMLGAADQWRL-LJQANCHMSA-N. The full InChI is InChI=1S/C20H15Cl2FN2O/c21-15-8-7-13(12-16(15)22)19-18-6-3-9-24(18)10-11-25(19)20(26)14-4-1-2-5-17(14)23/h1-9,12,19H,10-11H2/t19-/m1/s1.
What are the key properties of [(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone?
[(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone has a molecular weight of 389.26 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 93304342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).