2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

C22H28N4O2 — CID 54761804

IUPAC2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3ccccc3)c2C2CC2)C1
InChIInChI=1S/C22H28N4O2/c1-22(2,3)24-21(28)25-11-12-26-16(13-25)18(20(23)27)17(19(26)15-9-10-15)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H2,23,27)(H,24,28)
InChIKeyAUXVVTAWRCDZEO-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.46
Rot. Bonds3

About 2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 54761804) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID54761804
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3ccccc3)c2C2CC2)C1
InChIInChI=1S/C22H28N4O2/c1-22(2,3)24-21(28)25-11-12-26-16(13-25)18(20(23)27)17(19(26)15-9-10-15)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H2,23,27)(H,24,28)
InChIKeyAUXVVTAWRCDZEO-UHFFFAOYSA-N
XLogP3.46
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 54761804) is 2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.
What is the SMILES notation for 2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is CC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3ccccc3)c2C2CC2)C1.
What is the InChIKey of 2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is AUXVVTAWRCDZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-22(2,3)24-21(28)25-11-12-26-16(13-25)18(20(23)27)17(19(26)15-9-10-15)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H2,23,27)(H,24,28).
What are the key properties of 2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-cyclopropyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 54761804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).