2-[5-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide

C20H17F2N5O — CID 46988058

IUPAC2-[5-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ncc3cc(-c4ccc(F)c(F)c4)ccc32)n(C)n1
InChIInChI=1S/C20H17F2N5O/c1-12-7-19(26(2)25-12)24-20(28)11-27-18-6-4-13(8-15(18)10-23-27)14-3-5-16(21)17(22)9-14/h3-10H,11H2,1-2H3,(H,24,28)
InChIKeyHCWROWTUBKIZTI-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.66
Rot. Bonds4

About 2-[5-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[5-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 46988058) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-[5-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID46988058
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name2-[5-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ncc3cc(-c4ccc(F)c(F)c4)ccc32)n(C)n1
InChIInChI=1S/C20H17F2N5O/c1-12-7-19(26(2)25-12)24-20(28)11-27-18-6-4-13(8-15(18)10-23-27)14-3-5-16(21)17(22)9-14/h3-10H,11H2,1-2H3,(H,24,28)
InChIKeyHCWROWTUBKIZTI-UHFFFAOYSA-N
XLogP3.66
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)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-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[5-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 46988058) is 2-[5-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[5-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[5-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2ncc3cc(-c4ccc(F)c(F)c4)ccc32)n(C)n1.
What is the InChIKey of 2-[5-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is HCWROWTUBKIZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c1-12-7-19(26(2)25-12)24-20(28)11-27-18-6-4-13(8-15(18)10-23-27)14-3-5-16(21)17(22)9-14/h3-10H,11H2,1-2H3,(H,24,28).
What are the key properties of 2-[5-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[5-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 381.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-difluorophenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 46988058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).