2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxo-3-phenylpropan-2-yl]acetamide

C27H21FN6O4 — CID 10577682

IUPAC2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxo-3-phenylpropan-2-yl]acetamide
SMILESNc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3ncccc3o2)c1=O
InChIInChI=1S/C27H21FN6O4/c28-18-10-8-17(9-11-18)25-31-14-19(29)27(37)34(25)15-22(35)32-20(13-16-5-2-1-3-6-16)23(36)26-33-24-21(38-26)7-4-12-30-24/h1-12,14,20H,13,15,29H2,(H,32,35)
InChIKeyFZADIGASTHDCEN-UHFFFAOYSA-N
MW512.50 g/mol
LogP2.78
Rot. Bonds8

About 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxo-3-phenylpropan-2-yl]acetamide

2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxo-3-phenylpropan-2-yl]acetamide (PubChem CID 10577682) has the molecular formula C27H21FN6O4 and a molecular weight of 512.50 g/mol. Its IUPAC name is 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxo-3-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxo-3-phenylpropan-2-yl]acetamide
PubChem CID10577682
Molecular FormulaC27H21FN6O4
Molecular Weight512.50 g/mol
Exact Mass512.16
IUPAC Name2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxo-3-phenylpropan-2-yl]acetamide
SMILESNc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3ncccc3o2)c1=O
InChIInChI=1S/C27H21FN6O4/c28-18-10-8-17(9-11-18)25-31-14-19(29)27(37)34(25)15-22(35)32-20(13-16-5-2-1-3-6-16)23(36)26-33-24-21(38-26)7-4-12-30-24/h1-12,14,20H,13,15,29H2,(H,32,35)
InChIKeyFZADIGASTHDCEN-UHFFFAOYSA-N
XLogP2.78
TPSA146.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.50
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxo-3-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxo-3-phenylpropan-2-yl]acetamide (CID 10577682) is 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxo-3-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxo-3-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxo-3-phenylpropan-2-yl]acetamide is Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3ncccc3o2)c1=O.
What is the InChIKey of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxo-3-phenylpropan-2-yl]acetamide?
The InChIKey is FZADIGASTHDCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN6O4/c28-18-10-8-17(9-11-18)25-31-14-19(29)27(37)34(25)15-22(35)32-20(13-16-5-2-1-3-6-16)23(36)26-33-24-21(38-26)7-4-12-30-24/h1-12,14,20H,13,15,29H2,(H,32,35).
What are the key properties of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxo-3-phenylpropan-2-yl]acetamide?
2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxo-3-phenylpropan-2-yl]acetamide has a molecular weight of 512.50 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxo-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 10577682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).