2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide

C18H20FN3O3 — CID 89488657

IUPAC2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@H](CO)NC(=O)C[C@H]1CNC(=O)c2cc(-c3cccc(F)c3)cn21
InChIInChI=1S/C18H20FN3O3/c1-11(10-23)21-17(24)7-15-8-20-18(25)16-6-13(9-22(15)16)12-3-2-4-14(19)5-12/h2-6,9,11,15,23H,7-8,10H2,1H3,(H,20,25)(H,21,24)/t11-,15+/m1/s1
InChIKeyLSLMOTVRLGFCIU-ABAIWWIYSA-N
MW345.37 g/mol
LogP1.47
Rot. Bonds5

About 2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide

2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide (PubChem CID 89488657) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
PubChem CID89488657
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@H](CO)NC(=O)C[C@H]1CNC(=O)c2cc(-c3cccc(F)c3)cn21
InChIInChI=1S/C18H20FN3O3/c1-11(10-23)21-17(24)7-15-8-20-18(25)16-6-13(9-22(15)16)12-3-2-4-14(19)5-12/h2-6,9,11,15,23H,7-8,10H2,1H3,(H,20,25)(H,21,24)/t11-,15+/m1/s1
InChIKeyLSLMOTVRLGFCIU-ABAIWWIYSA-N
XLogP1.47
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of 2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide (CID 89488657) is 2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for 2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for 2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide is C[C@H](CO)NC(=O)C[C@H]1CNC(=O)c2cc(-c3cccc(F)c3)cn21.
What is the InChIKey of 2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The InChIKey is LSLMOTVRLGFCIU-ABAIWWIYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-11(10-23)21-17(24)7-15-8-20-18(25)16-6-13(9-22(15)16)12-3-2-4-14(19)5-12/h2-6,9,11,15,23H,7-8,10H2,1H3,(H,20,25)(H,21,24)/t11-,15+/m1/s1.
What are the key properties of 2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 89488657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).