[3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate

C25H26FN7O6 — CID 166559170

IUPAC[3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate
SMILESCC(=O)c1cc(-c2ncc(-c3cnn(CC(COC(=O)O)N4CCOCC4)c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C25H26FN7O6/c1-13(34)16-6-17(19(26)7-20(16)27)22-21-23(39-31-24(21)28)18(9-29-22)14-8-30-33(10-14)11-15(12-38-25(35)36)32-2-4-37-5-3-32/h6-10,15H,2-5,11-12,27H2,1H3,(H2,28,31)(H,35,36)
InChIKeyFAXGMOLJEATLHF-UHFFFAOYSA-N
MW539.52 g/mol
LogP2.65
Rot. Bonds8

About [3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate

[3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate (PubChem CID 166559170) has the molecular formula C25H26FN7O6 and a molecular weight of 539.52 g/mol. Its IUPAC name is [3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate.

Molecular Properties

Compound Name[3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate
PubChem CID166559170
Molecular FormulaC25H26FN7O6
Molecular Weight539.52 g/mol
Exact Mass539.19
IUPAC Name[3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate
SMILESCC(=O)c1cc(-c2ncc(-c3cnn(CC(COC(=O)O)N4CCOCC4)c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C25H26FN7O6/c1-13(34)16-6-17(19(26)7-20(16)27)22-21-23(39-31-24(21)28)18(9-29-22)14-8-30-33(10-14)11-15(12-38-25(35)36)32-2-4-37-5-3-32/h6-10,15H,2-5,11-12,27H2,1H3,(H2,28,31)(H,35,36)
InChIKeyFAXGMOLJEATLHF-UHFFFAOYSA-N
XLogP2.65
TPSA184.85 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.52
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate?
The IUPAC name of [3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate (CID 166559170) is [3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate.
What is the SMILES notation for [3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate?
The canonical SMILES for [3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate is CC(=O)c1cc(-c2ncc(-c3cnn(CC(COC(=O)O)N4CCOCC4)c3)c3onc(N)c23)c(F)cc1N.
What is the InChIKey of [3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate?
The InChIKey is FAXGMOLJEATLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O6/c1-13(34)16-6-17(19(26)7-20(16)27)22-21-23(39-31-24(21)28)18(9-29-22)14-8-30-33(10-14)11-15(12-38-25(35)36)32-2-4-37-5-3-32/h6-10,15H,2-5,11-12,27H2,1H3,(H2,28,31)(H,35,36).
What are the key properties of [3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate?
[3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate has a molecular weight of 539.52 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]-2-morpholin-4-ylpropyl] hydrogen carbonate is sourced from PubChem (CID 166559170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).