5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one

C27H29FN6O2 — CID 54673901

IUPAC5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one
SMILESCCC(CC)n1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNC5CC5)cc4F)no3)n2)ccc1=O
InChIInChI=1S/C27H29FN6O2/c1-3-19(4-2)34-15-17(6-10-25(34)35)23-14-31-27(29)26(32-23)24-12-22(33-36-24)20-9-5-16(11-21(20)28)13-30-18-7-8-18/h5-6,9-12,14-15,18-19,30H,3-4,7-8,13H2,1-2H3,(H2,29,31)
InChIKeyXVKZNFVRONOPNI-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.96
Rot. Bonds9

About 5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one

5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one (PubChem CID 54673901) has the molecular formula C27H29FN6O2 and a molecular weight of 488.57 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one
PubChem CID54673901
Molecular FormulaC27H29FN6O2
Molecular Weight488.57 g/mol
Exact Mass488.23
IUPAC Name5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one
SMILESCCC(CC)n1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNC5CC5)cc4F)no3)n2)ccc1=O
InChIInChI=1S/C27H29FN6O2/c1-3-19(4-2)34-15-17(6-10-25(34)35)23-14-31-27(29)26(32-23)24-12-22(33-36-24)20-9-5-16(11-21(20)28)13-30-18-7-8-18/h5-6,9-12,14-15,18-19,30H,3-4,7-8,13H2,1-2H3,(H2,29,31)
InChIKeyXVKZNFVRONOPNI-UHFFFAOYSA-N
XLogP4.96
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.96
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-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one?
The IUPAC name of 5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one (CID 54673901) is 5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one is CCC(CC)n1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNC5CC5)cc4F)no3)n2)ccc1=O.
What is the InChIKey of 5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one?
The InChIKey is XVKZNFVRONOPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O2/c1-3-19(4-2)34-15-17(6-10-25(34)35)23-14-31-27(29)26(32-23)24-12-22(33-36-24)20-9-5-16(11-21(20)28)13-30-18-7-8-18/h5-6,9-12,14-15,18-19,30H,3-4,7-8,13H2,1-2H3,(H2,29,31).
What are the key properties of 5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one?
5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one has a molecular weight of 488.57 g/mol, XLogP of 4.96, 9 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-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one is sourced from PubChem (CID 54673901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).