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

C28H24F3N5O — CID 155520706

IUPAC4-methyl-3-[3-(1-propylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCn1cc(-c2n[nH]c3cc(-c4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4C)ccc23)cn1
InChIInChI=1S/C28H24F3N5O/c1-3-11-36-16-20(15-32-36)26-23-10-9-18(13-25(23)34-35-26)24-12-19(8-7-17(24)2)27(37)33-22-6-4-5-21(14-22)28(29,30)31/h4-10,12-16H,3,11H2,1-2H3,(H,33,37)(H,34,35)
InChIKeyGJUVRKOUUBDTIC-UHFFFAOYSA-N
MW503.53 g/mol
LogP7.08
Rot. Bonds6

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

4-methyl-3-[3-(1-propylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 155520706) has the molecular formula C28H24F3N5O and a molecular weight of 503.53 g/mol. Its IUPAC name is 4-methyl-3-[3-(1-propylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[3-(1-propylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID155520706
Molecular FormulaC28H24F3N5O
Molecular Weight503.53 g/mol
Exact Mass503.19
IUPAC Name4-methyl-3-[3-(1-propylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCn1cc(-c2n[nH]c3cc(-c4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4C)ccc23)cn1
InChIInChI=1S/C28H24F3N5O/c1-3-11-36-16-20(15-32-36)26-23-10-9-18(13-25(23)34-35-26)24-12-19(8-7-17(24)2)27(37)33-22-6-4-5-21(14-22)28(29,30)31/h4-10,12-16H,3,11H2,1-2H3,(H,33,37)(H,34,35)
InChIKeyGJUVRKOUUBDTIC-UHFFFAOYSA-N
XLogP7.08
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.53
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(1-propylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-[3-(1-propylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 155520706) is 4-methyl-3-[3-(1-propylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[3-(1-propylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[3-(1-propylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is CCCn1cc(-c2n[nH]c3cc(-c4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4C)ccc23)cn1.
What is the InChIKey of 4-methyl-3-[3-(1-propylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GJUVRKOUUBDTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O/c1-3-11-36-16-20(15-32-36)26-23-10-9-18(13-25(23)34-35-26)24-12-19(8-7-17(24)2)27(37)33-22-6-4-5-21(14-22)28(29,30)31/h4-10,12-16H,3,11H2,1-2H3,(H,33,37)(H,34,35).
What are the key properties of 4-methyl-3-[3-(1-propylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-[3-(1-propylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 503.53 g/mol, XLogP of 7.08, 6 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-propylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 155520706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).