6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide

C18H19Cl2N5O — CID 44515684

IUPAC6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1cncc(N2C[C@H]3CNC[C@H]3C2)n1
InChIInChI=1S/C18H19Cl2N5O/c19-14-2-1-11(3-15(14)20)4-23-18(26)16-7-22-8-17(24-16)25-9-12-5-21-6-13(12)10-25/h1-3,7-8,12-13,21H,4-6,9-10H2,(H,23,26)/t12-,13+
InChIKeyIDWLDVTUHLGPAB-BETUJISGSA-N
MW392.29 g/mol
LogP2.37
Rot. Bonds4

About 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide

6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 44515684) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID44515684
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC Name6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1cncc(N2C[C@H]3CNC[C@H]3C2)n1
InChIInChI=1S/C18H19Cl2N5O/c19-14-2-1-11(3-15(14)20)4-23-18(26)16-7-22-8-17(24-16)25-9-12-5-21-6-13(12)10-25/h1-3,7-8,12-13,21H,4-6,9-10H2,(H,23,26)/t12-,13+
InChIKeyIDWLDVTUHLGPAB-BETUJISGSA-N
XLogP2.37
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide (CID 44515684) is 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)c1cncc(N2C[C@H]3CNC[C@H]3C2)n1.
What is the InChIKey of 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is IDWLDVTUHLGPAB-BETUJISGSA-N. The full InChI is InChI=1S/C18H19Cl2N5O/c19-14-2-1-11(3-15(14)20)4-23-18(26)16-7-22-8-17(24-16)25-9-12-5-21-6-13(12)10-25/h1-3,7-8,12-13,21H,4-6,9-10H2,(H,23,26)/t12-,13+.
What are the key properties of 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide?
6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 392.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 44515684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).