5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(1-cyclopropylethyl)pyridin-2-one

C25H25FN6O2 — CID 54673075

IUPAC5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(1-cyclopropylethyl)pyridin-2-one
SMILESCNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(C(C)C5CC5)c4)cnc3N)on2)c(F)c1
InChIInChI=1S/C25H25FN6O2/c1-14(16-4-5-16)32-13-17(6-8-23(32)33)21-12-29-25(27)24(30-21)22-10-20(31-34-22)18-7-3-15(11-28-2)9-19(18)26/h3,6-10,12-14,16,28H,4-5,11H2,1-2H3,(H2,27,29)
InChIKeyGIPRHXVOZZPKRS-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.04
Rot. Bonds7

About 5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(1-cyclopropylethyl)pyridin-2-one

5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(1-cyclopropylethyl)pyridin-2-one (PubChem CID 54673075) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(1-cyclopropylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(1-cyclopropylethyl)pyridin-2-one
PubChem CID54673075
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC Name5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(1-cyclopropylethyl)pyridin-2-one
SMILESCNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(C(C)C5CC5)c4)cnc3N)on2)c(F)c1
InChIInChI=1S/C25H25FN6O2/c1-14(16-4-5-16)32-13-17(6-8-23(32)33)21-12-29-25(27)24(30-21)22-10-20(31-34-22)18-7-3-15(11-28-2)9-19(18)26/h3,6-10,12-14,16,28H,4-5,11H2,1-2H3,(H2,27,29)
InChIKeyGIPRHXVOZZPKRS-UHFFFAOYSA-N
XLogP4.04
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(1-cyclopropylethyl)pyridin-2-one?
The IUPAC name of 5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(1-cyclopropylethyl)pyridin-2-one (CID 54673075) is 5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(1-cyclopropylethyl)pyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(1-cyclopropylethyl)pyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(1-cyclopropylethyl)pyridin-2-one is CNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(C(C)C5CC5)c4)cnc3N)on2)c(F)c1.
What is the InChIKey of 5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(1-cyclopropylethyl)pyridin-2-one?
The InChIKey is GIPRHXVOZZPKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-14(16-4-5-16)32-13-17(6-8-23(32)33)21-12-29-25(27)24(30-21)22-10-20(31-34-22)18-7-3-15(11-28-2)9-19(18)26/h3,6-10,12-14,16,28H,4-5,11H2,1-2H3,(H2,27,29).
What are the key properties of 5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(1-cyclopropylethyl)pyridin-2-one?
5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(1-cyclopropylethyl)pyridin-2-one has a molecular weight of 460.51 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(1-cyclopropylethyl)pyridin-2-one is sourced from PubChem (CID 54673075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).