(6S)-3-[(3-methoxy-5-methylphenyl)methylamino]-N-[(6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

C26H28N6O3 — CID 177114726

About (6S)-3-[(3-methoxy-5-methylphenyl)methylamino]-N-[(6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

(6S)-3-[(3-methoxy-5-methylphenyl)methylamino]-N-[(6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 177114726) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is (6S)-3-[(3-methoxy-5-methylphenyl)methylamino]-N-[(6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-3-[(3-methoxy-5-methylphenyl)methylamino]-N-[(6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• PubChem CID: 177114726
• Molecular Formula: C26H28N6O3
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.22
• IUPAC Name: (6S)-3-[(3-methoxy-5-methylphenyl)methylamino]-N-[(6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• SMILES: COc1cc(C)cc(CNc2ncc3n(c2=O)[C@H](C(=O)NCc2cc4cnc(C)cc4[nH]2)CC3)c1
• InChI: InChI=1S/C26H28N6O3/c1-15-6-17(9-21(7-15)35-3)11-28-24-26(34)32-20(14-29-24)4-5-23(32)25(33)30-13-19-10-18-12-27-16(2)8-22(18)31-19/h6-10,12,14,23,31H,4-5,11,13H2,1-3H3,(H,28,29)(H,30,33)/t23-/m0/s1
• InChIKey: WRGQBGVJKOLFEG-QHCPKHFHSA-N
• XLogP: 3.16
• TPSA: 113.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (6S)-3-[(3-methoxy-5-methylphenyl)methylamino]-N-[(6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 177114726) is (6S)-3-[(3-methoxy-5-methylphenyl)methylamino]-N-[(6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6S)-3-[(3-methoxy-5-methylphenyl)methylamino]-N-[(6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is COc1cc(C)cc(CNc2ncc3n(c2=O)[C@H](C(=O)NCc2cc4cnc(C)cc4[nH]2)CC3)c1.

What is the InChIKey of (6S)-3-[(3-methoxy-5-methylphenyl)methylamino]-N-[(6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

The InChIKey is WRGQBGVJKOLFEG-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-15-6-17(9-21(7-15)35-3)11-28-24-26(34)32-20(14-29-24)4-5-23(32)25(33)30-13-19-10-18-12-27-16(2)8-22(18)31-19/h6-10,12,14,23,31H,4-5,11,13H2,1-3H3,(H,28,29)(H,30,33)/t23-/m0/s1.

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

(6S)-3-[(3-methoxy-5-methylphenyl)methylamino]-N-[(6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-3-[(3-methoxy-5-methylphenyl)methylamino]-N-[(6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 177114726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).