2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide

C37H45Cl2FN6O2 — CID 158782726

IUPAC2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)CNC(=O)CN1CCn2cccc2C1c1ccc(Cl)c(Cl)c1.CC(C)NC(=O)CN1CCn2cccc2C1c1ccc(F)cc1
InChIInChI=1S/C19H23Cl2N3O.C18H22FN3O/c1-13(2)11-22-18(25)12-24-9-8-23-7-3-4-17(23)19(24)14-5-6-15(20)16(21)10-14;1-13(2)20-17(23)12-22-11-10-21-9-3-4-16(21)18(22)14-5-7-15(19)8-6-14/h3-7,10,13,19H,8-9,11-12H2,1-2H3,(H,22,25);3-9,13,18H,10-12H2,1-2H3,(H,20,23)
InChIKeyIRHBAYOURIVOMI-UHFFFAOYSA-N
MW695.71 g/mol
LogP6.53
Rot. Bonds9

About 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide

2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide (PubChem CID 158782726) has the molecular formula C37H45Cl2FN6O2 and a molecular weight of 695.71 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
PubChem CID158782726
Molecular FormulaC37H45Cl2FN6O2
Molecular Weight695.71 g/mol
Exact Mass694.30
IUPAC Name2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)CNC(=O)CN1CCn2cccc2C1c1ccc(Cl)c(Cl)c1.CC(C)NC(=O)CN1CCn2cccc2C1c1ccc(F)cc1
InChIInChI=1S/C19H23Cl2N3O.C18H22FN3O/c1-13(2)11-22-18(25)12-24-9-8-23-7-3-4-17(23)19(24)14-5-6-15(20)16(21)10-14;1-13(2)20-17(23)12-22-11-10-21-9-3-4-16(21)18(22)14-5-7-15(19)8-6-14/h3-7,10,13,19H,8-9,11-12H2,1-2H3,(H,22,25);3-9,13,18H,10-12H2,1-2H3,(H,20,23)
InChIKeyIRHBAYOURIVOMI-UHFFFAOYSA-N
XLogP6.53
TPSA74.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.71
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide (CID 158782726) is 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide is CC(C)CNC(=O)CN1CCn2cccc2C1c1ccc(Cl)c(Cl)c1.CC(C)NC(=O)CN1CCn2cccc2C1c1ccc(F)cc1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is IRHBAYOURIVOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O.C18H22FN3O/c1-13(2)11-22-18(25)12-24-9-8-23-7-3-4-17(23)19(24)14-5-6-15(20)16(21)10-14;1-13(2)20-17(23)12-22-11-10-21-9-3-4-16(21)18(22)14-5-7-15(19)8-6-14/h3-7,10,13,19H,8-9,11-12H2,1-2H3,(H,22,25);3-9,13,18H,10-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 695.71 g/mol, XLogP of 6.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)acetamide;2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 158782726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).