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

C23H28FN3O3 — CID 72697053

IUPACN-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide
SMILESO=C(C[C@H]1CNC(=O)c2cc(-c3cccc(F)c3)cn21)N[C@H](CO)C1CCCCC1
InChIInChI=1S/C23H28FN3O3/c24-18-8-4-7-16(9-18)17-10-21-23(30)25-12-19(27(21)13-17)11-22(29)26-20(14-28)15-5-2-1-3-6-15/h4,7-10,13,15,19-20,28H,1-3,5-6,11-12,14H2,(H,25,30)(H,26,29)/t19-,20+/m0/s1
InChIKeyLVPUPCZWFVIOGD-VQTJNVASSA-N
MW413.49 g/mol
LogP3.03
Rot. Bonds6

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

N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide (PubChem CID 72697053) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide
PubChem CID72697053
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC NameN-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide
SMILESO=C(C[C@H]1CNC(=O)c2cc(-c3cccc(F)c3)cn21)N[C@H](CO)C1CCCCC1
InChIInChI=1S/C23H28FN3O3/c24-18-8-4-7-16(9-18)17-10-21-23(30)25-12-19(27(21)13-17)11-22(29)26-20(14-28)15-5-2-1-3-6-15/h4,7-10,13,15,19-20,28H,1-3,5-6,11-12,14H2,(H,25,30)(H,26,29)/t19-,20+/m0/s1
InChIKeyLVPUPCZWFVIOGD-VQTJNVASSA-N
XLogP3.03
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide (CID 72697053) is N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide is O=C(C[C@H]1CNC(=O)c2cc(-c3cccc(F)c3)cn21)N[C@H](CO)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide?
The InChIKey is LVPUPCZWFVIOGD-VQTJNVASSA-N. The full InChI is InChI=1S/C23H28FN3O3/c24-18-8-4-7-16(9-18)17-10-21-23(30)25-12-19(27(21)13-17)11-22(29)26-20(14-28)15-5-2-1-3-6-15/h4,7-10,13,15,19-20,28H,1-3,5-6,11-12,14H2,(H,25,30)(H,26,29)/t19-,20+/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide?
N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide has a molecular weight of 413.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide is sourced from PubChem (CID 72697053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).