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

C20H26N4O2 — CID 45111827

IUPAC2-[7-(4-aminophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CC1CNC(=O)c2cc(-c3ccc(N)cc3)cn21
InChIInChI=1S/C20H26N4O2/c1-13(2)7-8-22-19(25)10-17-11-23-20(26)18-9-15(12-24(17)18)14-3-5-16(21)6-4-14/h3-6,9,12-13,17H,7-8,10-11,21H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPULXBIAMPQQSED-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.57
Rot. Bonds6

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

2-[7-(4-aminophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(3-methylbutyl)acetamide (PubChem CID 45111827) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[7-(4-aminophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[7-(4-aminophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(3-methylbutyl)acetamide
PubChem CID45111827
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[7-(4-aminophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CC1CNC(=O)c2cc(-c3ccc(N)cc3)cn21
InChIInChI=1S/C20H26N4O2/c1-13(2)7-8-22-19(25)10-17-11-23-20(26)18-9-15(12-24(17)18)14-3-5-16(21)6-4-14/h3-6,9,12-13,17H,7-8,10-11,21H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPULXBIAMPQQSED-UHFFFAOYSA-N
XLogP2.57
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-aminophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[7-(4-aminophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(3-methylbutyl)acetamide (CID 45111827) is 2-[7-(4-aminophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[7-(4-aminophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[7-(4-aminophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CC1CNC(=O)c2cc(-c3ccc(N)cc3)cn21.
What is the InChIKey of 2-[7-(4-aminophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is PULXBIAMPQQSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13(2)7-8-22-19(25)10-17-11-23-20(26)18-9-15(12-24(17)18)14-3-5-16(21)6-4-14/h3-6,9,12-13,17H,7-8,10-11,21H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-[7-(4-aminophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(3-methylbutyl)acetamide?
2-[7-(4-aminophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-aminophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 45111827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).