methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate

C19H17FN4O2 — CID 155209194

IUPACmethyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C19H17FN4O2/c1-10-8-13(9-11(2)22-10)16-15(12-4-6-14(20)7-5-12)24-18(21)17(23-16)19(25)26-3/h4-9H,1-3H3,(H2,21,24)
InChIKeyDUKZTYTXZCACGE-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.33
Rot. Bonds3

About methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate

methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate (PubChem CID 155209194) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate
PubChem CID155209194
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Namemethyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C19H17FN4O2/c1-10-8-13(9-11(2)22-10)16-15(12-4-6-14(20)7-5-12)24-18(21)17(23-16)19(25)26-3/h4-9H,1-3H3,(H2,21,24)
InChIKeyDUKZTYTXZCACGE-UHFFFAOYSA-N
XLogP3.33
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(5-fluoro-2-methoxyphenyl)propan-1-one
CID 159917883
3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 175551354
3-amino-6-(2,6-dimethyl-4-pyridinyl)-N-[(3-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 146386427
1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(2-bromophenyl)propan-1-one
CID 158194737
1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-[2-(difluoromethoxy)phenyl]propan-1-one
CID 162051857
5-(2,6-dimethyl-4-pyridinyl)-6-(4-fluorophenyl)pyrazin-2-amine
CID 172678638
methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate
CID 144501776
methyl 2-(2,6-dimethyl-4-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 107502186
methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
CID 13073191
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate
CID 58870301

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate (CID 155209194) is methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate is COC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N.
What is the InChIKey of methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate?
The InChIKey is DUKZTYTXZCACGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-10-8-13(9-11(2)22-10)16-15(12-4-6-14(20)7-5-12)24-18(21)17(23-16)19(25)26-3/h4-9H,1-3H3,(H2,21,24).
What are the key properties of methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate?
methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate has a molecular weight of 352.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate is sourced from PubChem (CID 155209194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).