N-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

C23H19FN4O3 — CID 44583438

IUPACN-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESO=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccccc21
InChIInChI=1S/C23H19FN4O3/c24-19-8-4-2-5-16(19)15-13-25-21(26-14-15)27-22(30)28-11-9-23(10-12-28)18-7-3-1-6-17(18)20(29)31-23/h1-8,13-14H,9-12H2,(H,25,26,27,30)
InChIKeyYCDMNSMEWLXCNC-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.98
Rot. Bonds2

About N-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

N-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (PubChem CID 44583438) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
PubChem CID44583438
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC NameN-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESO=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccccc21
InChIInChI=1S/C23H19FN4O3/c24-19-8-4-2-5-16(19)15-13-25-21(26-14-15)27-22(30)28-11-9-23(10-12-28)18-7-3-1-6-17(18)20(29)31-23/h1-8,13-14H,9-12H2,(H,25,26,27,30)
InChIKeyYCDMNSMEWLXCNC-UHFFFAOYSA-N
XLogP3.98
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide 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 N-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (CID 44583438) is N-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccccc21.
What is the InChIKey of N-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The InChIKey is YCDMNSMEWLXCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c24-19-8-4-2-5-16(19)15-13-25-21(26-14-15)27-22(30)28-11-9-23(10-12-28)18-7-3-1-6-17(18)20(29)31-23/h1-8,13-14H,9-12H2,(H,25,26,27,30).
What are the key properties of N-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
N-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 44583438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).