5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide

C24H21FN6O — CID 58521688

IUPAC5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide
SMILESC[C@H](Cc1nc(Cc2cnccn2)cc(-c2cncc(C(N)=O)c2)n1)c1ccc(F)cc1
InChIInChI=1S/C24H21FN6O/c1-15(16-2-4-19(25)5-3-16)8-23-30-20(10-21-14-27-6-7-29-21)11-22(31-23)17-9-18(24(26)32)13-28-12-17/h2-7,9,11-15H,8,10H2,1H3,(H2,26,32)/t15-/m1/s1
InChIKeyVOFMHFGRUZOMHS-OAHLLOKOSA-N
MW428.47 g/mol
LogP3.50
Rot. Bonds7

About 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide

5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide (PubChem CID 58521688) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide
PubChem CID58521688
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide
SMILESC[C@H](Cc1nc(Cc2cnccn2)cc(-c2cncc(C(N)=O)c2)n1)c1ccc(F)cc1
InChIInChI=1S/C24H21FN6O/c1-15(16-2-4-19(25)5-3-16)8-23-30-20(10-21-14-27-6-7-29-21)11-22(31-23)17-9-18(24(26)32)13-28-12-17/h2-7,9,11-15H,8,10H2,1H3,(H2,26,32)/t15-/m1/s1
InChIKeyVOFMHFGRUZOMHS-OAHLLOKOSA-N
XLogP3.50
TPSA107.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide (CID 58521688) is 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide is C[C@H](Cc1nc(Cc2cnccn2)cc(-c2cncc(C(N)=O)c2)n1)c1ccc(F)cc1.
What is the InChIKey of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide?
The InChIKey is VOFMHFGRUZOMHS-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-15(16-2-4-19(25)5-3-16)8-23-30-20(10-21-14-27-6-7-29-21)11-22(31-23)17-9-18(24(26)32)13-28-12-17/h2-7,9,11-15H,8,10H2,1H3,(H2,26,32)/t15-/m1/s1.
What are the key properties of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide?
5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 58521688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).