4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide

C25H25FN4O — CID 142270961

IUPAC4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide
SMILESCc1ccc(C(CCN)C(=O)Nc2ccc3[nH]nc(-c4cccc(F)c4)c3c2)cc1C
InChIInChI=1S/C25H25FN4O/c1-15-6-7-17(12-16(15)2)21(10-11-27)25(31)28-20-8-9-23-22(14-20)24(30-29-23)18-4-3-5-19(26)13-18/h3-9,12-14,21H,10-11,27H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyBADYUUIJWMNIFC-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.06
Rot. Bonds6

About 4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide

4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide (PubChem CID 142270961) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide.

Molecular Properties

Compound Name4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide
PubChem CID142270961
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide
SMILESCc1ccc(C(CCN)C(=O)Nc2ccc3[nH]nc(-c4cccc(F)c4)c3c2)cc1C
InChIInChI=1S/C25H25FN4O/c1-15-6-7-17(12-16(15)2)21(10-11-27)25(31)28-20-8-9-23-22(14-20)24(30-29-23)18-4-3-5-19(26)13-18/h3-9,12-14,21H,10-11,27H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyBADYUUIJWMNIFC-UHFFFAOYSA-N
XLogP5.06
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-(3,4-dichlorophenyl)-N-[3-(3-phenylanilino)-1H-indazol-5-yl]butanamide
CID 23570856
4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide
CID 23570859
4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide
CID 10239139
3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide
CID 23589708
4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide
CID 10152751
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1-methylpyrrole-2-carboxamide
CID 23571019
4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide
CID 23570880
methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
CID 22260721
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide
CID 23571029
3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide
CID 175236372
N-[5-[[3-(3-fluorophenyl)-1H-indazol-5-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 22260627
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide
CID 23571026

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide?
The IUPAC name of 4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide (CID 142270961) is 4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide.
What is the SMILES notation for 4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide?
The canonical SMILES for 4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide is Cc1ccc(C(CCN)C(=O)Nc2ccc3[nH]nc(-c4cccc(F)c4)c3c2)cc1C.
What is the InChIKey of 4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide?
The InChIKey is BADYUUIJWMNIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c1-15-6-7-17(12-16(15)2)21(10-11-27)25(31)28-20-8-9-23-22(14-20)24(30-29-23)18-4-3-5-19(26)13-18/h3-9,12-14,21H,10-11,27H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide?
4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide has a molecular weight of 416.50 g/mol, XLogP of 5.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide is sourced from PubChem (CID 142270961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).