3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(3-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide

C52H44F6N10O3 — CID 166708812

About 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(3-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide

3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(3-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 166708812) has the molecular formula C52H44F6N10O3 and a molecular weight of 970.98 g/mol. Its IUPAC name is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(3-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(3-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide
• PubChem CID: 166708812
• Molecular Formula: C52H44F6N10O3
• Molecular Weight: 970.98 g/mol
• Exact Mass: 970.35
• IUPAC Name: 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(3-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide
• SMILES: COc1c(F)cccc1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N.Cc1cc(-c2nc(C(=O)NCc3ccccc3C(F)(F)F)c(N)nc2-c2ccc(F)cc2)cc(C)n1
• InChI: InChI=1S/C26H21F4N5O.C26H23F2N5O2/c1-14-11-18(12-15(2)33-14)22-21(16-7-9-19(27)10-8-16)35-24(31)23(34-22)25(36)32-13-17-5-3-4-6-20(17)26(28,29)30;1-14-11-18(12-15(2)31-14)22-21(16-7-9-19(27)10-8-16)33-25(29)23(32-22)26(34)30-13-17-5-4-6-20(28)24(17)35-3/h3-12H,13H2,1-2H3,(H2,31,35)(H,32,36);4-12H,13H2,1-3H3,(H2,29,33)(H,30,34)
• InChIKey: CCPYIIWTLSRPBU-UHFFFAOYSA-N
• XLogP: 10.11
• TPSA: 196.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	970.98
LogP ≤ 5	10.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(3-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide?

The IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(3-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide (CID 166708812) is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(3-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(3-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(3-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide is COc1c(F)cccc1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N.Cc1cc(-c2nc(C(=O)NCc3ccccc3C(F)(F)F)c(N)nc2-c2ccc(F)cc2)cc(C)n1.

What is the InChIKey of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(3-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide?

The InChIKey is CCPYIIWTLSRPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F4N5O.C26H23F2N5O2/c1-14-11-18(12-15(2)33-14)22-21(16-7-9-19(27)10-8-16)35-24(31)23(34-22)25(36)32-13-17-5-3-4-6-20(17)26(28,29)30;1-14-11-18(12-15(2)31-14)22-21(16-7-9-19(27)10-8-16)33-25(29)23(32-22)26(34)30-13-17-5-4-6-20(28)24(17)35-3/h3-12H,13H2,1-2H3,(H2,31,35)(H,32,36);4-12H,13H2,1-3H3,(H2,29,33)(H,30,34).

What are the key properties of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(3-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide?

3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(3-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 970.98 g/mol, XLogP of 10.11, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(3-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 166708812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).