3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

C26H26FN7O3 — CID 155678666

About 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (PubChem CID 155678666) has the molecular formula C26H26FN7O3 and a molecular weight of 503.54 g/mol. Its IUPAC name is 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
• PubChem CID: 155678666
• Molecular Formula: C26H26FN7O3
• Molecular Weight: 503.54 g/mol
• Exact Mass: 503.21
• IUPAC Name: 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
• SMILES: Cn1cc(-c2nc(C(=O)NCc3c(F)cccc3N3CCOCC3)c(N)nc2-c2ccc[nH]2)ccc1=O
• InChI: InChI=1S/C26H26FN7O3/c1-33-15-16(7-8-21(33)35)22-23(19-5-3-9-29-19)32-25(28)24(31-22)26(36)30-14-17-18(27)4-2-6-20(17)34-10-12-37-13-11-34/h2-9,15,29H,10-14H2,1H3,(H2,28,32)(H,30,36)
• InChIKey: GXJKVKWRBUCPNC-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 131.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.54
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (CID 155678666) is 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is Cn1cc(-c2nc(C(=O)NCc3c(F)cccc3N3CCOCC3)c(N)nc2-c2ccc[nH]2)ccc1=O.

What is the InChIKey of 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?

The InChIKey is GXJKVKWRBUCPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O3/c1-33-15-16(7-8-21(33)35)22-23(19-5-3-9-29-19)32-25(28)24(31-22)26(36)30-14-17-18(27)4-2-6-20(17)34-10-12-37-13-11-34/h2-9,15,29H,10-14H2,1H3,(H2,28,32)(H,30,36).

What are the key properties of 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?

3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide has a molecular weight of 503.54 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155678666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).