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

C26H20F3N5O — CID 155538679

IUPAC4-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(C)c3)n[nH]c2c1
InChIInChI=1S/C26H20F3N5O/c1-15-6-7-17(25(35)31-20-5-3-4-19(12-20)26(27,28)29)10-22(15)16-8-9-21-23(11-16)32-33-24(21)18-13-30-34(2)14-18/h3-14H,1-2H3,(H,31,35)(H,32,33)
InChIKeyYDNKVGSHYQPIMR-UHFFFAOYSA-N
MW475.47 g/mol
LogP6.21
Rot. Bonds4

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

4-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 155538679) has the molecular formula C26H20F3N5O and a molecular weight of 475.47 g/mol. Its IUPAC name is 4-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID155538679
Molecular FormulaC26H20F3N5O
Molecular Weight475.47 g/mol
Exact Mass475.16
IUPAC Name4-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(C)c3)n[nH]c2c1
InChIInChI=1S/C26H20F3N5O/c1-15-6-7-17(25(35)31-20-5-3-4-19(12-20)26(27,28)29)10-22(15)16-8-9-21-23(11-16)32-33-24(21)18-13-30-34(2)14-18/h3-14H,1-2H3,(H,31,35)(H,32,33)
InChIKeyYDNKVGSHYQPIMR-UHFFFAOYSA-N
XLogP6.21
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.47
LogP ≤ 56.21
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-methylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 155538679) is 4-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[3-(1-methylpyrazol-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)c3)n[nH]c2c1.
What is the InChIKey of 4-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YDNKVGSHYQPIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O/c1-15-6-7-17(25(35)31-20-5-3-4-19(12-20)26(27,28)29)10-22(15)16-8-9-21-23(11-16)32-33-24(21)18-13-30-34(2)14-18/h3-14H,1-2H3,(H,31,35)(H,32,33).
What are the key properties of 4-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 475.47 g/mol, XLogP of 6.21, 4 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-methylpyrazol-4-yl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 155538679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).