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

C20H25N5O2 — CID 44516301

IUPAC6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)c2cncc(N3C[C@H]4CNC[C@H]4C3)n2)c1
InChIInChI=1S/C20H25N5O2/c1-13(2)27-17-5-3-4-16(6-17)23-20(26)18-9-22-10-19(24-18)25-11-14-7-21-8-15(14)12-25/h3-6,9-10,13-15,21H,7-8,11-12H2,1-2H3,(H,23,26)/t14-,15+
InChIKeyJFNIDOODFZIFIJ-GASCZTMLSA-N
MW367.45 g/mol
LogP2.17
Rot. Bonds5

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

6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide (PubChem CID 44516301) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 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-propan-2-yloxyphenyl)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-propan-2-yloxyphenyl)pyrazine-2-carboxamide
PubChem CID44516301
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)c2cncc(N3C[C@H]4CNC[C@H]4C3)n2)c1
InChIInChI=1S/C20H25N5O2/c1-13(2)27-17-5-3-4-16(6-17)23-20(26)18-9-22-10-19(24-18)25-11-14-7-21-8-15(14)12-25/h3-6,9-10,13-15,21H,7-8,11-12H2,1-2H3,(H,23,26)/t14-,15+
InChIKeyJFNIDOODFZIFIJ-GASCZTMLSA-N
XLogP2.17
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-propan-2-yloxyphenyl)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-propan-2-yloxyphenyl)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-propan-2-yloxyphenyl)pyrazine-2-carboxamide (CID 44516301) is 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-propan-2-yloxyphenyl)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-propan-2-yloxyphenyl)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-propan-2-yloxyphenyl)pyrazine-2-carboxamide is CC(C)Oc1cccc(NC(=O)c2cncc(N3C[C@H]4CNC[C@H]4C3)n2)c1.
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-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The InChIKey is JFNIDOODFZIFIJ-GASCZTMLSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(2)27-17-5-3-4-16(6-17)23-20(26)18-9-22-10-19(24-18)25-11-14-7-21-8-15(14)12-25/h3-6,9-10,13-15,21H,7-8,11-12H2,1-2H3,(H,23,26)/t14-,15+.
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-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-propan-2-yloxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 44516301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).