(2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone

C19H19FN4O — CID 124963279

IUPAC(2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone
SMILESCNc1nc([C@@H]2CCCN2C(=O)c2ccccc2F)cn2cccc12
InChIInChI=1S/C19H19FN4O/c1-21-18-17-9-4-10-23(17)12-15(22-18)16-8-5-11-24(16)19(25)13-6-2-3-7-14(13)20/h2-4,6-7,9-10,12,16H,5,8,11H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyHOYMGATUIOBURI-INIZCTEOSA-N
MW338.39 g/mol
LogP3.49
Rot. Bonds3

About (2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone

(2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 124963279) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is (2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID124963279
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name(2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone
SMILESCNc1nc([C@@H]2CCCN2C(=O)c2ccccc2F)cn2cccc12
InChIInChI=1S/C19H19FN4O/c1-21-18-17-9-4-10-23(17)12-15(22-18)16-8-5-11-24(16)19(25)13-6-2-3-7-14(13)20/h2-4,6-7,9-10,12,16H,5,8,11H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyHOYMGATUIOBURI-INIZCTEOSA-N
XLogP3.49
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
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[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
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(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747079
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124961091
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 53009589
[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone
CID 110110920
[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 124979411
N-methyl-3-pyrrolidin-2-ylpyrrolo[1,2-a]pyrazin-1-amine
CID 73439918
3-amino-6-[(2R)-1-(2-fluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 125017189
tert-butyl 2-[1-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone (CID 124963279) is (2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone is CNc1nc([C@@H]2CCCN2C(=O)c2ccccc2F)cn2cccc12.
What is the InChIKey of (2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is HOYMGATUIOBURI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-21-18-17-9-4-10-23(17)12-15(22-18)16-8-5-11-24(16)19(25)13-6-2-3-7-14(13)20/h2-4,6-7,9-10,12,16H,5,8,11H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone?
(2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 338.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124963279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).