6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

C20H25ClN4O2 — CID 89486447

IUPAC6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)CCNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1
InChIInChI=1S/C20H25ClN4O2/c1-13(2)8-9-23-20(27)24-10-11-25-15(12-24)17(19(22)26)16(18(25)21)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,22,26)(H,23,27)
InChIKeyFBQOFFZENWUAHV-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.48
Rot. Bonds5

About 6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 89486447) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID89486447
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)CCNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1
InChIInChI=1S/C20H25ClN4O2/c1-13(2)8-9-23-20(27)24-10-11-25-15(12-24)17(19(22)26)16(18(25)21)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,22,26)(H,23,27)
InChIKeyFBQOFFZENWUAHV-UHFFFAOYSA-N
XLogP3.48
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 89486447) is 6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.
What is the SMILES notation for 6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is CC(C)CCNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1.
What is the InChIKey of 6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is FBQOFFZENWUAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-13(2)8-9-23-20(27)24-10-11-25-15(12-24)17(19(22)26)16(18(25)21)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,22,26)(H,23,27).
What are the key properties of 6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 388.90 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 89486447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).