6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide

C21H25N5O2 — CID 126448773

IUPAC6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
SMILESCN(C)C(=O)c1cncc(-c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2)n1
InChIInChI=1S/C21H25N5O2/c1-24(2)21(28)19-13-22-12-18(23-19)15-5-7-16(8-6-15)20(27)26-11-10-25-9-3-4-17(25)14-26/h5-8,12-13,17H,3-4,9-11,14H2,1-2H3/t17-/m1/s1
InChIKeyMOQPMUTWDDXJFW-QGZVFWFLSA-N
MW379.46 g/mol
LogP1.77
Rot. Bonds3

About 6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide

6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide (PubChem CID 126448773) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
PubChem CID126448773
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
SMILESCN(C)C(=O)c1cncc(-c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2)n1
InChIInChI=1S/C21H25N5O2/c1-24(2)21(28)19-13-22-12-18(23-19)15-5-7-16(8-6-15)20(27)26-11-10-25-9-3-4-17(25)14-26/h5-8,12-13,17H,3-4,9-11,14H2,1-2H3/t17-/m1/s1
InChIKeyMOQPMUTWDDXJFW-QGZVFWFLSA-N
XLogP1.77
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide?
The IUPAC name of 6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide (CID 126448773) is 6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide?
The canonical SMILES for 6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide is CN(C)C(=O)c1cncc(-c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2)n1.
What is the InChIKey of 6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide?
The InChIKey is MOQPMUTWDDXJFW-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-24(2)21(28)19-13-22-12-18(23-19)15-5-7-16(8-6-15)20(27)26-11-10-25-9-3-4-17(25)14-26/h5-8,12-13,17H,3-4,9-11,14H2,1-2H3/t17-/m1/s1.
What are the key properties of 6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide?
6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 126448773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).