3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide

C28H20FN7O — CID 154604520

IUPAC3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide
SMILESC[C@@H](NC(=O)c1nc(-c2ccc3ncc(F)cc3c2)c(-c2ccccc2)nc1N)c1cccc(C#N)n1
InChIInChI=1S/C28H20FN7O/c1-16(22-9-5-8-21(14-30)34-22)33-28(37)26-27(31)36-24(17-6-3-2-4-7-17)25(35-26)18-10-11-23-19(12-18)13-20(29)15-32-23/h2-13,15-16H,1H3,(H2,31,36)(H,33,37)/t16-/m1/s1
InChIKeySAYPYAXTLFVEHA-MRXNPFEDSA-N
MW489.51 g/mol
LogP4.84
Rot. Bonds5

About 3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide

3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide (PubChem CID 154604520) has the molecular formula C28H20FN7O and a molecular weight of 489.51 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide
PubChem CID154604520
Molecular FormulaC28H20FN7O
Molecular Weight489.51 g/mol
Exact Mass489.17
IUPAC Name3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide
SMILESC[C@@H](NC(=O)c1nc(-c2ccc3ncc(F)cc3c2)c(-c2ccccc2)nc1N)c1cccc(C#N)n1
InChIInChI=1S/C28H20FN7O/c1-16(22-9-5-8-21(14-30)34-22)33-28(37)26-27(31)36-24(17-6-3-2-4-7-17)25(35-26)18-10-11-23-19(12-18)13-20(29)15-32-23/h2-13,15-16H,1H3,(H2,31,36)(H,33,37)/t16-/m1/s1
InChIKeySAYPYAXTLFVEHA-MRXNPFEDSA-N
XLogP4.84
TPSA130.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide (CID 154604520) is 3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide is C[C@@H](NC(=O)c1nc(-c2ccc3ncc(F)cc3c2)c(-c2ccccc2)nc1N)c1cccc(C#N)n1.
What is the InChIKey of 3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide?
The InChIKey is SAYPYAXTLFVEHA-MRXNPFEDSA-N. The full InChI is InChI=1S/C28H20FN7O/c1-16(22-9-5-8-21(14-30)34-22)33-28(37)26-27(31)36-24(17-6-3-2-4-7-17)25(35-26)18-10-11-23-19(12-18)13-20(29)15-32-23/h2-13,15-16H,1H3,(H2,31,36)(H,33,37)/t16-/m1/s1.
What are the key properties of 3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide?
3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide has a molecular weight of 489.51 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R)-1-(6-cyano-2-pyridinyl)ethyl]-6-(3-fluoroquinolin-6-yl)-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 154604520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).