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

C22H26FN3O2 — CID 45110412

IUPACN-(cyclohexylmethyl)-2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide
SMILESO=C(CC1CNC(=O)c2cc(-c3cccc(F)c3)cn21)NCC1CCCCC1
InChIInChI=1S/C22H26FN3O2/c23-18-8-4-7-16(9-18)17-10-20-22(28)25-13-19(26(20)14-17)11-21(27)24-12-15-5-2-1-3-6-15/h4,7-10,14-15,19H,1-3,5-6,11-13H2,(H,24,27)(H,25,28)
InChIKeyDGBIYWPBTYDPDM-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.67
Rot. Bonds5

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

N-(cyclohexylmethyl)-2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide (PubChem CID 45110412) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide
PubChem CID45110412
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-(cyclohexylmethyl)-2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide
SMILESO=C(CC1CNC(=O)c2cc(-c3cccc(F)c3)cn21)NCC1CCCCC1
InChIInChI=1S/C22H26FN3O2/c23-18-8-4-7-16(9-18)17-10-20-22(28)25-13-19(26(20)14-17)11-21(27)24-12-15-5-2-1-3-6-15/h4,7-10,14-15,19H,1-3,5-6,11-13H2,(H,24,27)(H,25,28)
InChIKeyDGBIYWPBTYDPDM-UHFFFAOYSA-N
XLogP3.67
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide (CID 45110412) is N-(cyclohexylmethyl)-2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide is O=C(CC1CNC(=O)c2cc(-c3cccc(F)c3)cn21)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide?
The InChIKey is DGBIYWPBTYDPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-18-8-4-7-16(9-18)17-10-20-22(28)25-13-19(26(20)14-17)11-21(27)24-12-15-5-2-1-3-6-15/h4,7-10,14-15,19H,1-3,5-6,11-13H2,(H,24,27)(H,25,28).
What are the key properties of N-(cyclohexylmethyl)-2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide?
N-(cyclohexylmethyl)-2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide is sourced from PubChem (CID 45110412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).