N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-1-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

C24H27FN6O2 — CID 176974049

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-1-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-1-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 176974049) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-1-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-1-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• PubChem CID: 176974049
• Molecular Formula: C24H27FN6O2
• Molecular Weight: 450.52 g/mol
• Exact Mass: 450.22
• IUPAC Name: N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-1-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• SMILES: Cc1cc(F)cc(CNc2nc(C)c3n(c2=O)C(C(=O)NCc2ccc(N)nc2C)CC3)c1
• InChI: InChI=1S/C24H27FN6O2/c1-13-8-16(10-18(25)9-13)11-27-22-24(33)31-19(15(3)30-22)5-6-20(31)23(32)28-12-17-4-7-21(26)29-14(17)2/h4,7-10,20H,5-6,11-12H2,1-3H3,(H2,26,29)(H,27,30)(H,28,32)
• InChIKey: QJGZSIRYUJILHF-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 114.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.52
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-1-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-1-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 176974049) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-1-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-1-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-1-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is Cc1cc(F)cc(CNc2nc(C)c3n(c2=O)C(C(=O)NCc2ccc(N)nc2C)CC3)c1.

What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-1-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

The InChIKey is QJGZSIRYUJILHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-13-8-16(10-18(25)9-13)11-27-22-24(33)31-19(15(3)30-22)5-6-20(31)23(32)28-12-17-4-7-21(26)29-14(17)2/h4,7-10,20H,5-6,11-12H2,1-3H3,(H2,26,29)(H,27,30)(H,28,32).

What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-1-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-1-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-1-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 176974049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).