N-[5-(2-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide

C26H24F4N4O3 — CID 137376356

IUPACN-[5-(2-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(C=O)ccc3F)ccc2N2CCN(C)CC2)cn1
InChIInChI=1S/C26H24F4N4O3/c1-33-7-9-34(10-8-33)23-6-4-17(18-11-16(15-35)3-5-21(18)27)12-22(23)32-25(36)19-14-31-24(37-2)13-20(19)26(28,29)30/h3-6,11-15H,7-10H2,1-2H3,(H,32,36)
InChIKeyJGDUXPQQVSSJAG-UHFFFAOYSA-N
MW516.50 g/mol
LogP4.73
Rot. Bonds6

About N-[5-(2-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide

N-[5-(2-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 137376356) has the molecular formula C26H24F4N4O3 and a molecular weight of 516.50 g/mol. Its IUPAC name is N-[5-(2-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID137376356
Molecular FormulaC26H24F4N4O3
Molecular Weight516.50 g/mol
Exact Mass516.18
IUPAC NameN-[5-(2-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(C=O)ccc3F)ccc2N2CCN(C)CC2)cn1
InChIInChI=1S/C26H24F4N4O3/c1-33-7-9-34(10-8-33)23-6-4-17(18-11-16(15-35)3-5-21(18)27)12-22(23)32-25(36)19-14-31-24(37-2)13-20(19)26(28,29)30/h3-6,11-15H,7-10H2,1-2H3,(H,32,36)
InChIKeyJGDUXPQQVSSJAG-UHFFFAOYSA-N
XLogP4.73
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-(2-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-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-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-(2-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide (CID 137376356) is N-[5-(2-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(2-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(2-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide is COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(C=O)ccc3F)ccc2N2CCN(C)CC2)cn1.
What is the InChIKey of N-[5-(2-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JGDUXPQQVSSJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4O3/c1-33-7-9-34(10-8-33)23-6-4-17(18-11-16(15-35)3-5-21(18)27)12-22(23)32-25(36)19-14-31-24(37-2)13-20(19)26(28,29)30/h3-6,11-15H,7-10H2,1-2H3,(H,32,36).
What are the key properties of N-[5-(2-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[5-(2-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 516.50 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluoro-5-formylphenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 137376356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).