N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide

C26H24F2N6O — CID 71287426

IUPACN-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1
InChIInChI=1S/C26H24F2N6O/c27-21-10-8-18(9-11-21)23-15-24(34(32-23)25-29-12-4-13-30-25)20-6-3-14-33(17-20)26(35)31-16-19-5-1-2-7-22(19)28/h1-2,4-5,7-13,15,20H,3,6,14,16-17H2,(H,31,35)
InChIKeyOICBFOMPFNMMBX-UHFFFAOYSA-N
MW474.52 g/mol
LogP4.70
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide

N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 71287426) has the molecular formula C26H24F2N6O and a molecular weight of 474.52 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide
PubChem CID71287426
Molecular FormulaC26H24F2N6O
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1
InChIInChI=1S/C26H24F2N6O/c27-21-10-8-18(9-11-21)23-15-24(34(32-23)25-29-12-4-13-30-25)20-6-3-14-33(17-20)26(35)31-16-19-5-1-2-7-22(19)28/h1-2,4-5,7-13,15,20H,3,6,14,16-17H2,(H,31,35)
InChIKeyOICBFOMPFNMMBX-UHFFFAOYSA-N
XLogP4.70
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]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-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide (CID 71287426) is N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide is O=C(NCc1ccccc1F)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is OICBFOMPFNMMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6O/c27-21-10-8-18(9-11-21)23-15-24(34(32-23)25-29-12-4-13-30-25)20-6-3-14-33(17-20)26(35)31-16-19-5-1-2-7-22(19)28/h1-2,4-5,7-13,15,20H,3,6,14,16-17H2,(H,31,35).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide?
N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71287426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).