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

C24H26FN5O2 — CID 177114830

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

N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 177114830) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• PubChem CID: 177114830
• Molecular Formula: C24H26FN5O2
• Molecular Weight: 435.50 g/mol
• Exact Mass: 435.21
• IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• SMILES: Cc1cc(F)cc(CNc2ncc3n(c2=O)C(C(=O)NCc2ccc(CN)cc2)CC3)c1
• InChI: InChI=1S/C24H26FN5O2/c1-15-8-18(10-19(25)9-15)13-27-22-24(32)30-20(14-28-22)6-7-21(30)23(31)29-12-17-4-2-16(11-26)3-5-17/h2-5,8-10,14,21H,6-7,11-13,26H2,1H3,(H,27,28)(H,29,31)
• InChIKey: IVGPORAPAFKRAA-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 102.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.50
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 177114830) is N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

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

The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is Cc1cc(F)cc(CNc2ncc3n(c2=O)C(C(=O)NCc2ccc(CN)cc2)CC3)c1.

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

The InChIKey is IVGPORAPAFKRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-15-8-18(10-19(25)9-15)13-27-22-24(32)30-20(14-28-22)6-7-21(30)23(31)29-12-17-4-2-16(11-26)3-5-17/h2-5,8-10,14,21H,6-7,11-13,26H2,1H3,(H,27,28)(H,29,31).

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

N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 177114830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).