ethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium

C21H23FN7O2+ — CID 59508908

IUPACethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium
SMILESCC[NH2+]CCOc1cnc(Oc2ccc3ncnc(Nc4ccn(C)n4)c3c2)c(F)c1
InChIInChI=1S/C21H22FN7O2/c1-3-23-7-9-30-15-11-17(22)21(24-12-15)31-14-4-5-18-16(10-14)20(26-13-25-18)27-19-6-8-29(2)28-19/h4-6,8,10-13,23H,3,7,9H2,1-2H3,(H,25,26,27,28)/p+1
InChIKeyFXJGNNJRRLYOEM-UHFFFAOYSA-O
MW424.46 g/mol
LogP2.40
Rot. Bonds9

About ethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium

ethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium (PubChem CID 59508908) has the molecular formula C21H23FN7O2+ and a molecular weight of 424.46 g/mol. Its IUPAC name is ethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium
PubChem CID59508908
Molecular FormulaC21H23FN7O2+
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Nameethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium
SMILESCC[NH2+]CCOc1cnc(Oc2ccc3ncnc(Nc4ccn(C)n4)c3c2)c(F)c1
InChIInChI=1S/C21H22FN7O2/c1-3-23-7-9-30-15-11-17(22)21(24-12-15)31-14-4-5-18-16(10-14)20(26-13-25-18)27-19-6-8-29(2)28-19/h4-6,8,10-13,23H,3,7,9H2,1-2H3,(H,25,26,27,28)/p+1
InChIKeyFXJGNNJRRLYOEM-UHFFFAOYSA-O
XLogP2.40
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium 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 ethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium?
The IUPAC name of ethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium (CID 59508908) is ethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium.
What is the SMILES notation for ethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium?
The canonical SMILES for ethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium is CC[NH2+]CCOc1cnc(Oc2ccc3ncnc(Nc4ccn(C)n4)c3c2)c(F)c1.
What is the InChIKey of ethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium?
The InChIKey is FXJGNNJRRLYOEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H22FN7O2/c1-3-23-7-9-30-15-11-17(22)21(24-12-15)31-14-4-5-18-16(10-14)20(26-13-25-18)27-19-6-8-29(2)28-19/h4-6,8,10-13,23H,3,7,9H2,1-2H3,(H,25,26,27,28)/p+1.
What are the key properties of ethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium?
ethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium has a molecular weight of 424.46 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium is sourced from PubChem (CID 59508908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).