3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide

C22H21F2N5O2 — CID 67458260

IUPAC3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(O)c(-c2cnc(N(C)C3(c4ncccc4F)CC(F)C3)nc2)c1
InChIInChI=1S/C22H21F2N5O2/c1-25-20(31)13-5-6-18(30)16(8-13)14-11-27-21(28-12-14)29(2)22(9-15(23)10-22)19-17(24)4-3-7-26-19/h3-8,11-12,15,30H,9-10H2,1-2H3,(H,25,31)
InChIKeyPCJLPOAPYXEXJV-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.21
Rot. Bonds5

About 3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide

3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide (PubChem CID 67458260) has the molecular formula C22H21F2N5O2 and a molecular weight of 425.44 g/mol. Its IUPAC name is 3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide
PubChem CID67458260
Molecular FormulaC22H21F2N5O2
Molecular Weight425.44 g/mol
Exact Mass425.17
IUPAC Name3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(O)c(-c2cnc(N(C)C3(c4ncccc4F)CC(F)C3)nc2)c1
InChIInChI=1S/C22H21F2N5O2/c1-25-20(31)13-5-6-18(30)16(8-13)14-11-27-21(28-12-14)29(2)22(9-15(23)10-22)19-17(24)4-3-7-26-19/h3-8,11-12,15,30H,9-10H2,1-2H3,(H,25,31)
InChIKeyPCJLPOAPYXEXJV-UHFFFAOYSA-N
XLogP3.21
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide 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-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide?
The IUPAC name of 3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide (CID 67458260) is 3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide.
What is the SMILES notation for 3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide?
The canonical SMILES for 3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide is CNC(=O)c1ccc(O)c(-c2cnc(N(C)C3(c4ncccc4F)CC(F)C3)nc2)c1.
What is the InChIKey of 3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide?
The InChIKey is PCJLPOAPYXEXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O2/c1-25-20(31)13-5-6-18(30)16(8-13)14-11-27-21(28-12-14)29(2)22(9-15(23)10-22)19-17(24)4-3-7-26-19/h3-8,11-12,15,30H,9-10H2,1-2H3,(H,25,31).
What are the key properties of 3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide?
3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide has a molecular weight of 425.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-4-hydroxy-N-methylbenzamide is sourced from PubChem (CID 67458260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).