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

C19H23ClN4O2 — CID 89486338

IUPAC6-chloro-2-N-(2-methylpropyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)CNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1
InChIInChI=1S/C19H23ClN4O2/c1-12(2)10-22-19(26)23-8-9-24-14(11-23)16(18(21)25)15(17(24)20)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,21,25)(H,22,26)
InChIKeyWDAFSDQGFMOCOQ-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.09
Rot. Bonds4

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

6-chloro-2-N-(2-methylpropyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 89486338) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 6-chloro-2-N-(2-methylpropyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name6-chloro-2-N-(2-methylpropyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID89486338
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name6-chloro-2-N-(2-methylpropyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)CNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1
InChIInChI=1S/C19H23ClN4O2/c1-12(2)10-22-19(26)23-8-9-24-14(11-23)16(18(21)25)15(17(24)20)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,21,25)(H,22,26)
InChIKeyWDAFSDQGFMOCOQ-UHFFFAOYSA-N
XLogP3.09
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.09
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-(2-methylpropyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 6-chloro-2-N-(2-methylpropyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 89486338) is 6-chloro-2-N-(2-methylpropyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.
What is the SMILES notation for 6-chloro-2-N-(2-methylpropyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 6-chloro-2-N-(2-methylpropyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is CC(C)CNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1.
What is the InChIKey of 6-chloro-2-N-(2-methylpropyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is WDAFSDQGFMOCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-12(2)10-22-19(26)23-8-9-24-14(11-23)16(18(21)25)15(17(24)20)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,21,25)(H,22,26).
What are the key properties of 6-chloro-2-N-(2-methylpropyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
6-chloro-2-N-(2-methylpropyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-methylpropyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 89486338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).