N-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide

C24H21F2N5O2 — CID 57398677

IUPACN-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide
SMILESCc1cccc(F)c1-c1nnc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)c(=O)n(C)n12
InChIInChI=1S/C24H21F2N5O2/c1-12-5-4-6-18(25)21(12)22-29-28-20-11-17(24(33)30(3)31(20)22)16-9-14(10-19(26)13(16)2)23(32)27-15-7-8-15/h4-6,9-11,15H,7-8H2,1-3H3,(H,27,32)
InChIKeyUYBZMQSDHCLFST-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.55
Rot. Bonds4

About N-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide

N-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide (PubChem CID 57398677) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide
PubChem CID57398677
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC NameN-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide
SMILESCc1cccc(F)c1-c1nnc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)c(=O)n(C)n12
InChIInChI=1S/C24H21F2N5O2/c1-12-5-4-6-18(25)21(12)22-29-28-20-11-17(24(33)30(3)31(20)22)16-9-14(10-19(26)13(16)2)23(32)27-15-7-8-15/h4-6,9-11,15H,7-8H2,1-3H3,(H,27,32)
InChIKeyUYBZMQSDHCLFST-UHFFFAOYSA-N
XLogP3.55
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide 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-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide (CID 57398677) is N-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide is Cc1cccc(F)c1-c1nnc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)c(=O)n(C)n12.
What is the InChIKey of N-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide?
The InChIKey is UYBZMQSDHCLFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-12-5-4-6-18(25)21(12)22-29-28-20-11-17(24(33)30(3)31(20)22)16-9-14(10-19(26)13(16)2)23(32)27-15-7-8-15/h4-6,9-11,15H,7-8H2,1-3H3,(H,27,32).
What are the key properties of N-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide?
N-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide has a molecular weight of 449.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-5-[3-(2-fluoro-6-methylphenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-4-methylbenzamide is sourced from PubChem (CID 57398677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).