4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide

C28H24F3N5O — CID 155568065

IUPAC4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(C(C)C)c3)n[nH]c2c1
InChIInChI=1S/C28H24F3N5O/c1-16(2)36-15-20(14-32-36)26-23-10-9-18(12-25(23)34-35-26)24-11-19(8-7-17(24)3)27(37)33-22-6-4-5-21(13-22)28(29,30)31/h4-16H,1-3H3,(H,33,37)(H,34,35)
InChIKeyGRFIJHUUQLKEBW-UHFFFAOYSA-N
MW503.53 g/mol
LogP7.25
Rot. Bonds5

About 4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide

4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 155568065) has the molecular formula C28H24F3N5O and a molecular weight of 503.53 g/mol. Its IUPAC name is 4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID155568065
Molecular FormulaC28H24F3N5O
Molecular Weight503.53 g/mol
Exact Mass503.19
IUPAC Name4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(C(C)C)c3)n[nH]c2c1
InChIInChI=1S/C28H24F3N5O/c1-16(2)36-15-20(14-32-36)26-23-10-9-18(12-25(23)34-35-26)24-11-19(8-7-17(24)3)27(37)33-22-6-4-5-21(13-22)28(29,30)31/h4-16H,1-3H3,(H,33,37)(H,34,35)
InChIKeyGRFIJHUUQLKEBW-UHFFFAOYSA-N
XLogP7.25
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.53
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide 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 4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 155568065) is 4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(C(C)C)c3)n[nH]c2c1.
What is the InChIKey of 4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GRFIJHUUQLKEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O/c1-16(2)36-15-20(14-32-36)26-23-10-9-18(12-25(23)34-35-26)24-11-19(8-7-17(24)3)27(37)33-22-6-4-5-21(13-22)28(29,30)31/h4-16H,1-3H3,(H,33,37)(H,34,35).
What are the key properties of 4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 503.53 g/mol, XLogP of 7.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(1-propan-2-ylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 155568065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).