1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone

C21H23FN4O — CID 124961091

IUPAC1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCN(C)c1nc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)cn2cccc12
InChIInChI=1S/C21H23FN4O/c1-24(2)21-19-6-3-11-25(19)14-17(23-21)18-5-4-12-26(18)20(27)13-15-7-9-16(22)10-8-15/h3,6-11,14,18H,4-5,12-13H2,1-2H3/t18-/m0/s1
InChIKeyGZASZIDVLWVMJC-SFHVURJKSA-N
MW366.44 g/mol
LogP3.45
Rot. Bonds4

About 1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone

1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 124961091) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID124961091
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCN(C)c1nc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)cn2cccc12
InChIInChI=1S/C21H23FN4O/c1-24(2)21-19-6-3-11-25(19)14-17(23-21)18-5-4-12-26(18)20(27)13-15-7-9-16(22)10-8-15/h3,6-11,14,18H,4-5,12-13H2,1-2H3/t18-/m0/s1
InChIKeyGZASZIDVLWVMJC-SFHVURJKSA-N
XLogP3.45
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 110098691
[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110098694
[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone
CID 110110920
[(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 125024124
3-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N,N-dimethylpyrrolo[1,2-a]pyrazin-1-amine
CID 124970525
N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 124985854
1-[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 125013326
2-(4-fluorophenyl)-1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110254606
1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110262476
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513
N,N-dimethyl-3-[(2R)-piperidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 129406964
1-[(2R)-2-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 92616091

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone (CID 124961091) is 1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone is CN(C)c1nc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)cn2cccc12.
What is the InChIKey of 1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is GZASZIDVLWVMJC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-24(2)21-19-6-3-11-25(19)14-17(23-21)18-5-4-12-26(18)20(27)13-15-7-9-16(22)10-8-15/h3,6-11,14,18H,4-5,12-13H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 366.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 124961091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).