Skip to content

N-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-carboxamide

C25H23F4N9O2 — CID 118627195

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

IUPACN-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-carboxamide
SMILESO=C(Cc1ccccn1)Nc1ccc(CCC(F)CN(Cc2cc(C(F)(F)F)ccn2)C(=O)c2cn[nH]n2)nn1
InChIInChI=1S/C25H23F4N9O2/c26-17(4-5-18-6-7-22(36-34-18)33-23(39)12-19-3-1-2-9-30-19)14-38(24(40)21-13-32-37-35-21)15-20-11-16(8-10-31-20)25(27,28)29/h1-3,6-11,13,17H,4-5,12,14-15H2,(H,32,35,37)(H,33,36,39)
InChIKeyGLBGUYUTQOIXGA-UHFFFAOYSA-N
MW557.51 g/mol
LogP3.20
Rot. Bonds11

About N-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-carboxamide

N-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-carboxamide (PubChem CID 118627195) has the molecular formula C25H23F4N9O2 and a molecular weight of 557.51 g/mol. Its IUPAC name is N-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-carboxamide
PubChem CID118627195
Molecular FormulaC25H23F4N9O2
Molecular Weight557.51 g/mol
Exact Mass557.19
IUPAC NameN-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-carboxamide
SMILESO=C(Cc1ccccn1)Nc1ccc(CCC(F)CN(Cc2cc(C(F)(F)F)ccn2)C(=O)c2cn[nH]n2)nn1
InChIInChI=1S/C25H23F4N9O2/c26-17(4-5-18-6-7-22(36-34-18)33-23(39)12-19-3-1-2-9-30-19)14-38(24(40)21-13-32-37-35-21)15-20-11-16(8-10-31-20)25(27,28)29/h1-3,6-11,13,17H,4-5,12,14-15H2,(H,32,35,37)(H,33,36,39)
InChIKeyGLBGUYUTQOIXGA-UHFFFAOYSA-N
XLogP3.20
TPSA142.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-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-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-carboxamide (CID 118627195) is N-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-carboxamide is O=C(Cc1ccccn1)Nc1ccc(CCC(F)CN(Cc2cc(C(F)(F)F)ccn2)C(=O)c2cn[nH]n2)nn1.
What is the InChIKey of N-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-carboxamide?
The InChIKey is GLBGUYUTQOIXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N9O2/c26-17(4-5-18-6-7-22(36-34-18)33-23(39)12-19-3-1-2-9-30-19)14-38(24(40)21-13-32-37-35-21)15-20-11-16(8-10-31-20)25(27,28)29/h1-3,6-11,13,17H,4-5,12,14-15H2,(H,32,35,37)(H,33,36,39).
What are the key properties of N-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-carboxamide?
N-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-carboxamide has a molecular weight of 557.51 g/mol, XLogP of 3.20, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 118627195), 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.