7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene

C28H34N6O4 — CID 142221570

About 7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene

7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene (PubChem CID 142221570) has the molecular formula C28H34N6O4 and a molecular weight of 518.62 g/mol. Its IUPAC name is 7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene.

Molecular Properties

• Compound Name: 7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene
• PubChem CID: 142221570
• Molecular Formula: C28H34N6O4
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.26
• IUPAC Name: 7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene
• SMILES: C=CC.C=CCc1c(C#N)c(C(N)=O)c2n1CCN(C(=O)Nc1ccc(C(=O)CN3CCOCC3)cc1)C2
• InChI: InChI=1S/C25H28N6O4.C3H6/c1-2-3-20-19(14-26)23(24(27)33)21-15-30(8-9-31(20)21)25(34)28-18-6-4-17(5-7-18)22(32)16-29-10-12-35-13-11-29;1-3-2/h2,4-7H,1,3,8-13,15-16H2,(H2,27,33)(H,28,34);3H,1H2,2H3
• InChIKey: WHSCWKZVAPINFP-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 133.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene?

The IUPAC name of 7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene (CID 142221570) is 7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene.

What is the SMILES notation for 7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene?

The canonical SMILES for 7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene is C=CC.C=CCc1c(C#N)c(C(N)=O)c2n1CCN(C(=O)Nc1ccc(C(=O)CN3CCOCC3)cc1)C2.

What is the InChIKey of 7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene?

The InChIKey is WHSCWKZVAPINFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4.C3H6/c1-2-3-20-19(14-26)23(24(27)33)21-15-30(8-9-31(20)21)25(34)28-18-6-4-17(5-7-18)22(32)16-29-10-12-35-13-11-29;1-3-2/h2,4-7H,1,3,8-13,15-16H2,(H2,27,33)(H,28,34);3H,1H2,2H3.

What are the key properties of 7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene?

7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene has a molecular weight of 518.62 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene is sourced from PubChem (CID 142221570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).