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

C23H25FN6O2 — CID 176974021

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

(6S)-N-[(1R)-1-(6-amino-3-pyridinyl)ethyl]-3-[(2-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 176974021) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is (6S)-N-[(1R)-1-(6-amino-3-pyridinyl)ethyl]-3-[(2-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-[(1R)-1-(6-amino-3-pyridinyl)ethyl]-3-[(2-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• PubChem CID: 176974021
• Molecular Formula: C23H25FN6O2
• Molecular Weight: 436.49 g/mol
• Exact Mass: 436.20
• IUPAC Name: (6S)-N-[(1R)-1-(6-amino-3-pyridinyl)ethyl]-3-[(2-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• SMILES: Cc1ccc(F)c(CNc2ncc3n(c2=O)[C@H](C(=O)N[C@H](C)c2ccc(N)nc2)CC3)c1
• InChI: InChI=1S/C23H25FN6O2/c1-13-3-6-18(24)16(9-13)11-27-21-23(32)30-17(12-28-21)5-7-19(30)22(31)29-14(2)15-4-8-20(25)26-10-15/h3-4,6,8-10,12,14,19H,5,7,11H2,1-2H3,(H2,25,26)(H,27,28)(H,29,31)/t14-,19+/m1/s1
• InChIKey: FFMUVCCJIOSROG-KUHUBIRLSA-N
• XLogP: 2.64
• TPSA: 114.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.49
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (6S)-N-[(1R)-1-(6-amino-3-pyridinyl)ethyl]-3-[(2-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 176974021) is (6S)-N-[(1R)-1-(6-amino-3-pyridinyl)ethyl]-3-[(2-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6S)-N-[(1R)-1-(6-amino-3-pyridinyl)ethyl]-3-[(2-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is Cc1ccc(F)c(CNc2ncc3n(c2=O)[C@H](C(=O)N[C@H](C)c2ccc(N)nc2)CC3)c1.

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

The InChIKey is FFMUVCCJIOSROG-KUHUBIRLSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-13-3-6-18(24)16(9-13)11-27-21-23(32)30-17(12-28-21)5-7-19(30)22(31)29-14(2)15-4-8-20(25)26-10-15/h3-4,6,8-10,12,14,19H,5,7,11H2,1-2H3,(H2,25,26)(H,27,28)(H,29,31)/t14-,19+/m1/s1.

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

(6S)-N-[(1R)-1-(6-amino-3-pyridinyl)ethyl]-3-[(2-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-[(1R)-1-(6-amino-3-pyridinyl)ethyl]-3-[(2-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 176974021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).