1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one

C23H23FN4O2 — CID 134216128

IUPAC1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one
SMILESNc1ncc(C2CCOCC2)cc1-c1ccc(C(=O)CCc2cnccn2)c(F)c1
InChIInChI=1S/C23H23FN4O2/c24-21-12-16(1-3-19(21)22(29)4-2-18-14-26-7-8-27-18)20-11-17(13-28-23(20)25)15-5-9-30-10-6-15/h1,3,7-8,11-15H,2,4-6,9-10H2,(H2,25,28)
InChIKeyLDHHODYPOZYGBA-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.97
Rot. Bonds6

About 1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one

1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one (PubChem CID 134216128) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one
PubChem CID134216128
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one
SMILESNc1ncc(C2CCOCC2)cc1-c1ccc(C(=O)CCc2cnccn2)c(F)c1
InChIInChI=1S/C23H23FN4O2/c24-21-12-16(1-3-19(21)22(29)4-2-18-14-26-7-8-27-18)20-11-17(13-28-23(20)25)15-5-9-30-10-6-15/h1,3,7-8,11-15H,2,4-6,9-10H2,(H2,25,28)
InChIKeyLDHHODYPOZYGBA-UHFFFAOYSA-N
XLogP3.97
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one?
The IUPAC name of 1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one (CID 134216128) is 1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one is Nc1ncc(C2CCOCC2)cc1-c1ccc(C(=O)CCc2cnccn2)c(F)c1.
What is the InChIKey of 1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one?
The InChIKey is LDHHODYPOZYGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c24-21-12-16(1-3-19(21)22(29)4-2-18-14-26-7-8-27-18)20-11-17(13-28-23(20)25)15-5-9-30-10-6-15/h1,3,7-8,11-15H,2,4-6,9-10H2,(H2,25,28).
What are the key properties of 1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one?
1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one has a molecular weight of 406.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 134216128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).