Skip to content

2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol

C25H26FN9O2 — CID 169265890

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol
SMILESOCCN1CC(n2cc(Nc3ncc(F)c(-c4ccc5nc(N6CC7CC(C6)O7)ncc5c4)n3)cn2)C1
InChIInChI=1S/C25H26FN9O2/c26-21-9-27-24(30-17-8-29-35(10-17)18-11-33(12-18)3-4-36)32-23(21)15-1-2-22-16(5-15)7-28-25(31-22)34-13-19-6-20(14-34)37-19/h1-2,5,7-10,18-20,36H,3-4,6,11-14H2,(H,27,30,32)
InChIKeyBNWWKNRWKVPJPO-UHFFFAOYSA-N
MW503.54 g/mol
LogP1.99
Rot. Bonds7

About 2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol

2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol (PubChem CID 169265890) has the molecular formula C25H26FN9O2 and a molecular weight of 503.54 g/mol. Its IUPAC name is 2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol
PubChem CID169265890
Molecular FormulaC25H26FN9O2
Molecular Weight503.54 g/mol
Exact Mass503.22
IUPAC Name2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol
SMILESOCCN1CC(n2cc(Nc3ncc(F)c(-c4ccc5nc(N6CC7CC(C6)O7)ncc5c4)n3)cn2)C1
InChIInChI=1S/C25H26FN9O2/c26-21-9-27-24(30-17-8-29-35(10-17)18-11-33(12-18)3-4-36)32-23(21)15-1-2-22-16(5-15)7-28-25(31-22)34-13-19-6-20(14-34)37-19/h1-2,5,7-10,18-20,36H,3-4,6,11-14H2,(H,27,30,32)
InChIKeyBNWWKNRWKVPJPO-UHFFFAOYSA-N
XLogP1.99
TPSA117.35 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.54
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol 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 2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol?
The IUPAC name of 2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol (CID 169265890) is 2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol is OCCN1CC(n2cc(Nc3ncc(F)c(-c4ccc5nc(N6CC7CC(C6)O7)ncc5c4)n3)cn2)C1.
What is the InChIKey of 2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol?
The InChIKey is BNWWKNRWKVPJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN9O2/c26-21-9-27-24(30-17-8-29-35(10-17)18-11-33(12-18)3-4-36)32-23(21)15-1-2-22-16(5-15)7-28-25(31-22)34-13-19-6-20(14-34)37-19/h1-2,5,7-10,18-20,36H,3-4,6,11-14H2,(H,27,30,32).
What are the key properties of 2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol?
2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol has a molecular weight of 503.54 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[[5-fluoro-4-[2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanol is sourced from PubChem (CID 169265890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.