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

C28H38N4O2 — CID 54761805

IUPAC2-N-tert-butyl-7-(4-cyclohexylphenyl)-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3ccc(C4CCCCC4)cc3)c2C2CC2)C1
InChIInChI=1S/C28H38N4O2/c1-28(2,3)30-27(34)31-15-16-32-22(17-31)24(26(29)33)23(25(32)21-13-14-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h9-12,18,21H,4-8,13-17H2,1-3H3,(H2,29,33)(H,30,34)
InChIKeyAXWWPGLGDUOBPU-UHFFFAOYSA-N
MW462.64 g/mol
LogP5.50
Rot. Bonds4

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

2-N-tert-butyl-7-(4-cyclohexylphenyl)-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 54761805) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 2-N-tert-butyl-7-(4-cyclohexylphenyl)-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name2-N-tert-butyl-7-(4-cyclohexylphenyl)-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID54761805
Molecular FormulaC28H38N4O2
Molecular Weight462.64 g/mol
Exact Mass462.30
IUPAC Name2-N-tert-butyl-7-(4-cyclohexylphenyl)-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3ccc(C4CCCCC4)cc3)c2C2CC2)C1
InChIInChI=1S/C28H38N4O2/c1-28(2,3)30-27(34)31-15-16-32-22(17-31)24(26(29)33)23(25(32)21-13-14-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h9-12,18,21H,4-8,13-17H2,1-3H3,(H2,29,33)(H,30,34)
InChIKeyAXWWPGLGDUOBPU-UHFFFAOYSA-N
XLogP5.50
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-7-(4-cyclohexylphenyl)-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 2-N-tert-butyl-7-(4-cyclohexylphenyl)-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 54761805) is 2-N-tert-butyl-7-(4-cyclohexylphenyl)-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.
What is the SMILES notation for 2-N-tert-butyl-7-(4-cyclohexylphenyl)-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 2-N-tert-butyl-7-(4-cyclohexylphenyl)-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is CC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3ccc(C4CCCCC4)cc3)c2C2CC2)C1.
What is the InChIKey of 2-N-tert-butyl-7-(4-cyclohexylphenyl)-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is AXWWPGLGDUOBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2/c1-28(2,3)30-27(34)31-15-16-32-22(17-31)24(26(29)33)23(25(32)21-13-14-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h9-12,18,21H,4-8,13-17H2,1-3H3,(H2,29,33)(H,30,34).
What are the key properties of 2-N-tert-butyl-7-(4-cyclohexylphenyl)-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
2-N-tert-butyl-7-(4-cyclohexylphenyl)-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 462.64 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-7-(4-cyclohexylphenyl)-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 54761805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).