Skip to content

1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide

C25H28F4N8O4 — CID 118627226

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

IUPAC1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
SMILESCNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OC4CC(OCC(F)(F)F)C4)ccn3)nn2)nn1
InChIInChI=1S/C25H28F4N8O4/c1-30-24(39)21-13-37(36-34-21)12-15(26)2-3-16-4-5-22(35-33-16)32-23(38)9-17-8-18(6-7-31-17)41-20-10-19(11-20)40-14-25(27,28)29/h4-8,13,15,19-20H,2-3,9-12,14H2,1H3,(H,30,39)(H,32,35,38)
InChIKeyCBRUFHWLRPJRLK-UHFFFAOYSA-N
MW580.54 g/mol
LogP2.46
Rot. Bonds13

About 1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide

1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide (PubChem CID 118627226) has the molecular formula C25H28F4N8O4 and a molecular weight of 580.54 g/mol. Its IUPAC name is 1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
PubChem CID118627226
Molecular FormulaC25H28F4N8O4
Molecular Weight580.54 g/mol
Exact Mass580.22
IUPAC Name1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
SMILESCNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OC4CC(OCC(F)(F)F)C4)ccn3)nn2)nn1
InChIInChI=1S/C25H28F4N8O4/c1-30-24(39)21-13-37(36-34-21)12-15(26)2-3-16-4-5-22(35-33-16)32-23(38)9-17-8-18(6-7-31-17)41-20-10-19(11-20)40-14-25(27,28)29/h4-8,13,15,19-20H,2-3,9-12,14H2,1H3,(H,30,39)(H,32,35,38)
InChIKeyCBRUFHWLRPJRLK-UHFFFAOYSA-N
XLogP2.46
TPSA146.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.54
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-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 1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide (CID 118627226) is 1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide is CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OC4CC(OCC(F)(F)F)C4)ccn3)nn2)nn1.
What is the InChIKey of 1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide?
The InChIKey is CBRUFHWLRPJRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F4N8O4/c1-30-24(39)21-13-37(36-34-21)12-15(26)2-3-16-4-5-22(35-33-16)32-23(38)9-17-8-18(6-7-31-17)41-20-10-19(11-20)40-14-25(27,28)29/h4-8,13,15,19-20H,2-3,9-12,14H2,1H3,(H,30,39)(H,32,35,38).
What are the key properties of 1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide?
1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide has a molecular weight of 580.54 g/mol, XLogP of 2.46, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[6-[[2-[4-[3-(2,2,2-trifluoroethoxy)cyclobutyl]oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 118627226), 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.