2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide

C25H21FN6O3S — CID 121272566

IUPAC2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide
SMILES[H]N=S(C)(=O)c1ccc(-c2ccc(CNC(=O)Cn3c(-c4ncco4)cc4cc(F)ccc43)nn2)cc1
InChIInChI=1S/C25H21FN6O3S/c1-36(27,34)20-6-2-16(3-7-20)21-8-5-19(30-31-21)14-29-24(33)15-32-22-9-4-18(26)12-17(22)13-23(32)25-28-10-11-35-25/h2-13,27H,14-15H2,1H3,(H,29,33)
InChIKeyANIYBPSZSFNCDN-UHFFFAOYSA-N
MW504.55 g/mol
LogP4.24
Rot. Bonds7

About 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide

2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide (PubChem CID 121272566) has the molecular formula C25H21FN6O3S and a molecular weight of 504.55 g/mol. Its IUPAC name is 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide
PubChem CID121272566
Molecular FormulaC25H21FN6O3S
Molecular Weight504.55 g/mol
Exact Mass504.14
IUPAC Name2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide
SMILES[H]N=S(C)(=O)c1ccc(-c2ccc(CNC(=O)Cn3c(-c4ncco4)cc4cc(F)ccc43)nn2)cc1
InChIInChI=1S/C25H21FN6O3S/c1-36(27,34)20-6-2-16(3-7-20)21-8-5-19(30-31-21)14-29-24(33)15-32-22-9-4-18(26)12-17(22)13-23(32)25-28-10-11-35-25/h2-13,27H,14-15H2,1H3,(H,29,33)
InChIKeyANIYBPSZSFNCDN-UHFFFAOYSA-N
XLogP4.24
TPSA126.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.55
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide 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 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide?
The IUPAC name of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide (CID 121272566) is 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide?
The canonical SMILES for 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide is [H]N=S(C)(=O)c1ccc(-c2ccc(CNC(=O)Cn3c(-c4ncco4)cc4cc(F)ccc43)nn2)cc1.
What is the InChIKey of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide?
The InChIKey is ANIYBPSZSFNCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O3S/c1-36(27,34)20-6-2-16(3-7-20)21-8-5-19(30-31-21)14-29-24(33)15-32-22-9-4-18(26)12-17(22)13-23(32)25-28-10-11-35-25/h2-13,27H,14-15H2,1H3,(H,29,33).
What are the key properties of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide?
2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide has a molecular weight of 504.55 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[6-[4-(methylsulfonimidoyl)phenyl]pyridazin-3-yl]methyl]acetamide is sourced from PubChem (CID 121272566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).