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

C26H23F2N5O2 — CID 155209199

IUPAC3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(F)cc1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C26H23F2N5O2/c1-14-10-17(11-15(2)31-14)23-22(16-4-6-19(27)7-5-16)33-25(29)24(32-23)26(34)30-13-18-12-20(28)8-9-21(18)35-3/h4-12H,13H2,1-3H3,(H2,29,33)(H,30,34)
InChIKeyIVDIMPLQVROTBW-UHFFFAOYSA-N
MW475.50 g/mol
LogP4.62
Rot. Bonds6

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

3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 155209199) has the molecular formula C26H23F2N5O2 and a molecular weight of 475.50 g/mol. Its IUPAC name is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
PubChem CID155209199
Molecular FormulaC26H23F2N5O2
Molecular Weight475.50 g/mol
Exact Mass475.18
IUPAC Name3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(F)cc1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C26H23F2N5O2/c1-14-10-17(11-15(2)31-14)23-22(16-4-6-19(27)7-5-16)33-25(29)24(32-23)26(34)30-13-18-12-20(28)8-9-21(18)35-3/h4-12H,13H2,1-3H3,(H2,29,33)(H,30,34)
InChIKeyIVDIMPLQVROTBW-UHFFFAOYSA-N
XLogP4.62
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide (CID 155209199) is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide is COc1ccc(F)cc1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N.
What is the InChIKey of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is IVDIMPLQVROTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O2/c1-14-10-17(11-15(2)31-14)23-22(16-4-6-19(27)7-5-16)33-25(29)24(32-23)26(34)30-13-18-12-20(28)8-9-21(18)35-3/h4-12H,13H2,1-3H3,(H2,29,33)(H,30,34).
What are the key properties of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide?
3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 155209199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).